data_1kq8_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 1kq8 _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.476 ' HA ' ' CD2' ' A' ' 11' ' ' LEU . 4.3 m-85 . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.51 0.195 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 33.7 mt -69.84 -55.27 15.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.03 -45.45 79.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.518 ' CD1' ' CD1' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -58.54 -43.13 89.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -65.12 -37.97 81.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.0 m -58.38 -50.77 72.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.389 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.417 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 3.5 ptt? -69.59 -26.17 64.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.22 -50.96 34.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.47 ' CG2' HD11 ' A' ' 80' ' ' LEU . 11.9 mm -67.55 -30.73 49.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.2 -19.5 2.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -48.76 -32.73 9.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.3 p -89.09 -142.05 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.989 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -168.5 33.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 79.59 39.42 18.01 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.517 1.135 . . . . 0.0 110.971 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -135.22 -68.74 0.07 OUTLIER Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.1 ptt-85 -162.22 156.6 21.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 0.78 . . . . 0.0 110.278 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.451 ' CD2' ' HB2' ' A' ' 78' ' ' TRP . 0.1 OUTLIER -160.97 166.77 27.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.416 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 1.4 p -119.31 113.95 21.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.4 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.583 HD21 ' CE3' ' A' ' 78' ' ' TRP . 3.7 mm? -60.19 -20.62 59.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.66 -47.48 81.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -73.73 -39.58 64.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.425 1.078 . . . . 0.0 110.257 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.401 HG12 ' CD1' ' A' ' 24' ' ' LEU . 0.6 OUTLIER -57.69 -51.52 69.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.41 ' HA ' ' HB2' ' A' ' 33' ' ' LEU . 62.1 m-20 -69.84 -29.99 67.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -57.52 -48.97 77.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.248 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.638 ' CD1' ' C ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -80.01 -26.42 39.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 111.017 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.57 HD12 ' CZ ' ' A' ' 32' ' ' TYR . 3.1 tp -57.41 -48.41 79.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -79.86 -28.74 39.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.952 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -78.18 -6.43 87.63 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.524 1.14 . . . . 0.0 110.961 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? -111.79 -55.69 2.47 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.507 0.769 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 9.8 m-30 -83.42 113.77 48.87 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.995 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -39.86 1.06 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.451 1.764 . . . . 0.0 111.003 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -58.57 -33.62 70.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.798 ' CD2' ' CZ2' ' A' ' 47' ' ' TRP . 0.1 OUTLIER -71.5 -36.19 71.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.97 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.12 12.1 14.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.264 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -140.67 40.45 1.37 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.453 1.096 . . . . 0.0 111.032 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 39.4 m -143.5 -69.55 0.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 0.753 . . . . 0.0 110.023 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.568 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 4.4 p90 -169.93 107.99 0.37 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.6 p -77.01 56.67 1.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 110.404 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -142.49 28.52 2.19 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.525 1.141 . . . . 0.0 110.986 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.798 ' CZ2' ' CD2' ' A' ' 40' ' ' PHE . 0.9 OUTLIER -99.34 -12.53 20.22 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.2 ttt180 -50.13 -22.31 1.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -78.46 -48.52 15.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 109.258 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.76 -32.04 63.62 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.131 . . . . 0.0 109.978 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.2 t -69.32 -56.81 10.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.424 ' CG ' ' N ' ' A' ' 53' ' ' HIS . 5.1 ptt180 -57.8 -40.45 79.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.289 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.424 ' N ' ' CG ' ' A' ' 52' ' ' ARG . 0.1 OUTLIER -57.8 -55.78 30.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 109.587 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.483 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 2.1 t30 -64.3 -28.76 69.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.668 ' CD2' ' CZ3' ' A' ' 78' ' ' TRP . 1.0 OUTLIER -56.15 -51.37 68.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.272 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.6 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -80.67 -29.98 36.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.007 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.402 ' N ' HD13 ' A' ' 57' ' ' LEU . 10.7 mp -80.73 0.52 34.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.483 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 8.0 t30 -108.43 -76.16 0.62 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.605 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 1.2 m-20 -58.62 -53.14 61.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.52 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.5 OUTLIER 88.93 59.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 108.338 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.605 ' CE2' ' HB2' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -119.19 -169.52 1.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.977 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.6 p -118.65 140.55 41.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.435 ' HB2' ' CD1' ' A' ' 78' ' ' TRP . 0.1 OUTLIER -119.05 175.14 5.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -119.33 126.88 52.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 111.024 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.668 ' CZ3' ' CD2' ' A' ' 55' ' ' LEU . 16.1 m0 -116.48 145.1 43.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 108.026 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -120.45 106.05 11.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.562 ' HB3' ' CD2' ' A' ' 61' ' ' PHE . 0.6 OUTLIER -119.64 152.56 36.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 13.5 p30 -163.41 158.03 17.31 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.186 0 O-C-N 124.471 1.774 . . . . 0.0 111.053 -179.999 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.478 ' HA ' ' CD2' ' A' ' 11' ' ' LEU . 4.6 m-85 . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.568 0.223 . . . . 0.0 111.034 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.42 HG13 ' N ' ' A' ' 10' ' ' ALA . 7.0 pt -65.65 -32.98 60.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.42 ' N ' HG13 ' A' ' 9' ' ' ILE . . . -74.2 -55.98 5.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.478 ' CD2' ' HA ' ' A' ' 8' ' ' TYR . 1.1 pp -56.35 -28.67 59.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.243 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.545 ' CD1' ' CD1' ' A' ' 55' ' ' LEU . 3.3 mm -72.55 -49.94 38.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.8 m -51.86 -45.88 64.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.412 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.3 ptt? -72.36 -31.05 65.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.964 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.81 -45.24 78.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.331 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.486 HD13 ' CD1' ' A' ' 55' ' ' LEU . 10.4 mm -73.65 -29.79 27.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.87 -17.59 1.47 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.304 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -51.47 -32.29 26.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.2 p -86.23 -144.33 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.95 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -166.07 31.68 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 80' ' ' LEU . . . 82.28 42.45 8.62 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 80' ' ' LEU . . . -141.32 -67.79 0.03 OUTLIER Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.4 ' HA ' ' HA ' ' A' ' 79' ' ' MET . 0.5 OUTLIER -160.75 155.73 24.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 0.764 . . . . 0.0 110.301 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.464 HD21 ' CD2' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -150.27 172.93 14.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.442 ' HA ' ' HA ' ' A' ' 77' ' ' TYR . 37.8 p -124.01 110.75 15.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.413 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.608 HD23 ' CE3' ' A' ' 78' ' ' TRP . 3.7 mm? -62.68 -25.13 67.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.91 -52.0 64.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -72.97 -34.03 66.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 110.316 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.428 HG12 ' CD1' ' A' ' 24' ' ' LEU . 0.9 OUTLIER -59.33 -53.91 41.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.421 ' ND2' ' HG2' ' A' ' 48' ' ' ARG . 11.8 t-20 -69.02 -29.54 67.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -57.49 -48.87 78.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.264 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.631 ' CD1' ' C ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -80.29 -25.98 39.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.976 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.517 HD11 ' CZ ' ' A' ' 32' ' ' TYR . 3.5 tp -58.45 -50.23 74.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 6.0 ttp -79.98 -20.82 44.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -80.16 -9.53 86.51 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.443 1.09 . . . . 0.0 111.008 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.12 -55.79 2.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 0.742 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -69.88 112.92 13.94 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -34.78 3.54 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.483 1.78 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -64.67 -32.24 73.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 111.012 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.795 ' CD2' ' CZ2' ' A' ' 47' ' ' TRP . 1.3 m-30 -69.31 -43.63 73.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 111.011 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -82.2 6.79 15.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 110.264 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -135.49 24.29 3.37 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.445 1.091 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.7 m -135.47 -79.93 0.43 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 0.763 . . . . 0.0 110.006 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.534 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 1.8 p90 -165.65 119.44 1.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.982 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 38.6 m -86.9 51.19 2.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.422 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -128.02 41.49 1.58 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.536 1.147 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.795 ' CZ2' ' CD2' ' A' ' 40' ' ' PHE . 2.0 p-90 -120.36 3.68 10.79 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.421 ' HG2' ' ND2' ' A' ' 30' ' ' ASN . 55.1 mtp180 -54.72 -29.15 52.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -79.32 -37.41 37.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 28.9 m -75.98 -38.72 57.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.99 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.54 ' CG1' ' N ' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -68.1 -52.28 40.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 109.305 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.54 ' N ' ' CG1' ' A' ' 51' ' ' VAL . 7.0 ptm180 -60.17 -42.82 95.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.324 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.496 ' N ' ' CG ' ' A' ' 52' ' ' ARG . 5.3 m170 -55.28 -56.97 13.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 109.59 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.466 ' O ' ' N ' ' A' ' 58' ' ' ASN . 1.3 m-20 -62.76 -31.71 72.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.265 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.596 HD23 ' CZ3' ' A' ' 78' ' ' TRP . 0.4 OUTLIER -52.88 -50.1 64.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.575 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -79.83 -30.74 40.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.161 . . . . 0.0 109.988 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -80.13 1.29 28.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.466 ' N ' ' O ' ' A' ' 54' ' ' ASN . 0.9 OUTLIER -99.21 -88.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.548 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 0.2 OUTLIER -57.26 -50.23 73.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.336 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.548 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 4.4 t 92.46 64.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 108.328 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.575 ' CE1' ' HA ' ' A' ' 56' ' ' SER . 0.2 OUTLIER -119.22 -165.33 1.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 110.982 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 93.8 t -116.19 159.15 16.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.596 ' HB2' ' CD1' ' A' ' 78' ' ' TRP . 0.0 OUTLIER -118.63 152.07 36.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 57.7 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 109.31 -179.973 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.418 ' OD1' ' N ' ' A' ' 76' ' ' ASN . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.442 ' HA ' ' HA ' ' A' ' 25' ' ' THR . 5.0 p90 -131.78 157.32 44.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 111.041 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.608 ' CE3' HD23 ' A' ' 26' ' ' LEU . 31.7 m0 -114.6 161.52 17.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 108.002 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.4 ' HA ' ' HA ' ' A' ' 23' ' ' ARG . 13.8 ttm -119.23 111.32 18.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.981 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.503 ' HB3' ' CD2' ' A' ' 61' ' ' PHE . 0.7 OUTLIER -118.79 153.19 34.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -160.6 153.39 17.74 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.51 1.795 . . . . 0.0 111.071 179.951 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.453 ' HA ' ' CD2' ' A' ' 11' ' ' LEU . 4.1 m-85 . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.508 0.194 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -53.91 -40.72 45.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.52 -50.42 63.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.547 ' CD1' ' CD2' ' A' ' 33' ' ' LEU . 0.3 OUTLIER -54.97 -36.8 65.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.471 HD12 ' CD1' ' A' ' 55' ' ' LEU . 10.2 mm -67.68 -46.44 82.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.249 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 84.4 m -52.16 -49.09 64.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 110.415 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 3.9 ptt? -73.14 -26.47 61.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.22 -43.08 74.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.344 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.512 ' HA ' ' CD1' ' A' ' 24' ' ' LEU . 3.9 mm -80.77 -24.07 10.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.8 -15.46 3.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 110.301 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -58.43 -33.94 70.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.102 . . . . 0.0 109.267 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.1 p -82.79 -143.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.027 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -169.32 32.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.079 . . . . 0.0 109.308 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.427 ' CA ' ' HD2' ' A' ' 82' ' ' PRO . . . 80.47 41.69 11.13 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 80' ' ' LEU . . . -139.44 -68.79 0.04 OUTLIER Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.3 ptt180 -161.16 162.41 31.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 0.778 . . . . 0.0 110.314 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.512 ' CD1' ' HA ' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -160.15 170.25 21.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.275 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.439 ' HA ' ' HA ' ' A' ' 77' ' ' TYR . 15.7 p -118.38 112.52 20.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.388 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.608 HD22 ' CE3' ' A' ' 78' ' ' TRP . 3.2 mm? -63.94 -27.3 69.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.55 -53.23 57.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -70.66 -35.04 72.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.276 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.1 mp -57.68 -49.39 80.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.416 ' ND2' ' HD3' ' A' ' 48' ' ' ARG . 0.8 OUTLIER -69.45 -32.38 71.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -56.1 -51.01 69.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 110.257 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.648 ' CD1' ' C ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -75.7 -28.82 58.77 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 110.961 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.547 ' CD2' ' CD1' ' A' ' 11' ' ' LEU . 2.3 tp -56.95 -48.05 79.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 6.3 mtt -78.2 -28.12 47.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 110.999 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -76.11 -13.76 82.92 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.433 1.083 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.5 mtpt -102.96 -57.6 2.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 0.776 . . . . 0.0 109.299 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -80.11 113.67 40.45 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 111.031 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -39.5 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.495 1.787 . . . . 0.0 110.98 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -59.1 -32.29 69.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.98 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.756 ' CD2' ' CZ2' ' A' ' 47' ' ' TRP . 0.1 OUTLIER -76.29 -28.0 56.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.969 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.64 3.13 38.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.375 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -144.15 54.11 0.58 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.477 1.111 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 73.7 m -150.3 -72.97 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 0.73 . . . . 0.0 109.986 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.552 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 1.9 p90 -174.81 117.65 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 111.034 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.8 t -87.5 52.27 2.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.398 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -126.03 27.03 5.2 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.485 1.115 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.756 ' CZ2' ' CD2' ' A' ' 40' ' ' PHE . 3.4 p-90 -106.66 0.04 24.04 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.416 ' HD3' ' ND2' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -52.22 -30.68 28.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.451 ' H ' ' ND2' ' A' ' 49' ' ' ASN . 1.7 p30 -75.3 -53.68 8.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.52 -40.74 97.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.017 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.566 HG21 ' CE3' ' A' ' 47' ' ' TRP . 2.1 t -60.21 -56.54 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.469 ' HG2' ' CH2' ' A' ' 78' ' ' TRP . 54.3 mtt180 -58.8 -40.37 83.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 110.269 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 17.6 t60 -57.69 -57.42 12.83 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.123 . . . . 0.0 109.576 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.461 ' O ' ' N ' ' A' ' 58' ' ' ASN . 0.7 OUTLIER -62.03 -34.23 75.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.614 ' CD2' ' CZ3' ' A' ' 78' ' ' TRP . 0.4 OUTLIER -52.7 -49.26 65.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.577 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.2 OUTLIER -80.29 -30.07 38.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.991 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.4 mp -80.46 1.38 29.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 54' ' ' ASN . 4.7 m-20 -98.39 -89.84 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.56 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 0.2 OUTLIER -56.65 -47.79 78.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.548 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 3.6 t 91.4 63.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 108.269 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.577 ' CE1' ' HA ' ' A' ' 56' ' ' SER . 0.2 OUTLIER -119.73 -165.33 1.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 111.033 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 94.7 t -116.36 153.59 17.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.343 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.589 ' HB2' ' CD1' ' A' ' 78' ' ' TRP . 0.0 OUTLIER -118.28 150.51 39.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.297 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 25.6 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.96 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.439 ' HA ' ' HA ' ' A' ' 25' ' ' THR . 13.4 p90 -143.79 157.69 44.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.943 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.614 ' CZ3' ' CD2' ' A' ' 55' ' ' LEU . 31.0 m0 -114.75 162.37 16.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 108.006 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -119.53 111.79 18.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 110.978 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.492 ' CB ' ' HB3' ' A' ' 61' ' ' PHE . 0.6 OUTLIER -118.83 156.56 29.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -167.49 75.97 0.97 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.568 1.167 . . . . 0.0 109.284 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.427 ' HD2' ' CA ' ' A' ' 21' ' ' GLY . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.142 0 O-C-N 124.498 1.788 . . . . 0.0 111.018 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.506 ' CG ' HD23 ' A' ' 11' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.508 0.194 . . . . 0.0 111.015 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 24.7 pt -61.44 -36.82 75.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.25 -52.87 23.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.543 ' CD1' ' CD2' ' A' ' 33' ' ' LEU . 0.3 OUTLIER -49.96 -38.57 37.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.258 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.424 ' CD1' HD12 ' A' ' 55' ' ' LEU . 5.6 mm -68.35 -46.34 80.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.266 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 54.1 m -54.7 -49.4 70.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.433 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.1 ptt? -70.98 -25.69 62.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 110.955 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.439 ' O ' ' CG1' ' A' ' 29' ' ' ILE . . . -71.92 -42.16 67.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.554 HD13 ' CZ ' ' A' ' 61' ' ' PHE . 8.2 mm -80.2 -22.58 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.9 ttp180 -59.41 -12.32 5.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -77.4 0.23 23.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.538 ' CB ' ' HB3' ' A' ' 24' ' ' LEU . 0.9 OUTLIER -96.1 -47.98 5.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.093 . . . . 0.0 109.949 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.476 ' CB ' ' O ' ' A' ' 19' ' ' SER . . . 82.19 43.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.344 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 54.38 52.08 47.02 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.516 1.135 . . . . 0.0 111.041 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -154.33 -79.06 0.02 OUTLIER Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -163.96 154.56 15.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 0.778 . . . . 0.0 110.267 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.538 ' HB3' ' CB ' ' A' ' 19' ' ' SER . 0.2 OUTLIER -161.7 170.59 19.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.26 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.417 HG23 ' CE1' ' A' ' 77' ' ' TYR . 3.2 p -104.04 105.45 15.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.098 . . . . 0.0 110.358 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.594 HD23 ' CE3' ' A' ' 78' ' ' TRP . 0.6 OUTLIER -52.69 -31.49 37.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.4 -49.13 75.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.36 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -67.07 -29.17 68.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.439 ' CG1' ' O ' ' A' ' 15' ' ' ALA . 1.1 mp -59.62 -54.63 31.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 31.0 m-20 -68.15 -30.4 69.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -56.82 -49.99 73.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.655 ' CD1' ' C ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -78.91 -26.93 43.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.574 HD13 ' CE1' ' A' ' 32' ' ' TYR . 2.0 tp -60.7 -47.96 83.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.6 ptt? -74.08 -32.15 63.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -76.46 -8.42 85.82 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.51 1.131 . . . . 0.0 111.036 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.6 mttp -106.98 -54.64 2.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 0.778 . . . . 0.0 109.295 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -75.87 113.6 28.81 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 0.0 111.022 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -39.28 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -65.68 -22.19 66.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.975 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.503 ' CD2' ' CZ2' ' A' ' 47' ' ' TRP . 2.1 m-30 -75.78 -49.61 17.63 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -71.57 -6.16 38.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -102.3 -47.48 1.43 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.572 1.17 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.5 m -69.9 -76.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 0.747 . . . . 0.0 110.005 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.495 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 15.2 p90 -169.17 126.26 0.94 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.569 HG22 ' CH2' ' A' ' 47' ' ' TRP . 48.8 m -94.02 48.67 1.27 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 110.389 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -125.0 47.62 1.01 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.519 1.137 . . . . 0.0 111.026 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.569 ' CH2' HG22 ' A' ' 45' ' ' THR . 0.0 OUTLIER -116.81 14.29 15.2 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.09 -31.33 69.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 110.3 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -71.95 -55.42 7.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 33.9 m -65.46 -33.18 75.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.017 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.413 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 3.0 t -61.92 -57.78 10.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.426 1.079 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.423 ' HG3' ' N ' ' A' ' 53' ' ' HIS . 0.5 OUTLIER -61.33 -29.57 69.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.318 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.423 ' N ' ' HG3' ' A' ' 52' ' ' ARG . 1.5 t-160 -59.65 -55.97 27.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.62 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 58' ' ' ASN . 6.0 t-20 -73.61 -28.97 62.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.594 HD21 ' CZ3' ' A' ' 78' ' ' TRP . 0.5 OUTLIER -56.35 -52.66 63.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.422 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 1.2 t -74.45 -32.24 62.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.999 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.428 ' N ' HD13 ' A' ' 57' ' ' LEU . 10.9 mp -80.72 1.3 30.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 54' ' ' ASN . 14.3 t30 -93.06 -80.97 0.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.591 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 0.4 OUTLIER -79.52 -50.85 10.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.591 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 3.3 t 95.77 78.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 108.264 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.554 ' CZ ' HD13 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -123.96 -166.52 1.5 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 12.9 p -119.21 155.91 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.471 ' HB2' ' CD2' ' A' ' 78' ' ' TRP . 1.7 tttt -119.42 146.09 45.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.453 HG13 ' O ' ' A' ' 77' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.524 ' OD1' ' CD1' ' A' ' 78' ' ' TRP . 20.2 p30 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.453 ' O ' HG13 ' A' ' 64' ' ' VAL . 1.2 m-85 -121.06 146.13 47.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 111.017 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.594 ' CE3' HD23 ' A' ' 26' ' ' LEU . 11.4 m0 -122.2 159.45 27.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 108.056 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.61 108.15 7.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.507 ' CB ' ' HB3' ' A' ' 61' ' ' PHE . 0.7 OUTLIER -118.93 150.22 40.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 109.284 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -160.51 138.12 7.02 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.178 0 O-C-N 124.496 1.787 . . . . 0.0 110.967 -179.975 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.518 0.199 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -60.77 -35.26 63.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.57 -39.74 84.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.283 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.465 HD13 ' CE1' ' A' ' 37' ' ' PHE . 6.9 tp -60.03 -48.94 79.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.494 ' O ' ' CG2' ' A' ' 16' ' ' ILE . 1.0 OUTLIER -66.9 -39.09 82.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.432 ' O ' ' CB ' ' A' ' 17' ' ' ARG . 21.4 m -57.7 -49.36 76.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.391 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.433 ' CE ' HD12 ' A' ' 11' ' ' LEU . 3.8 ptt? -70.05 -28.43 65.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.522 ' CB ' ' OH ' ' A' ' 32' ' ' TYR . . . -69.47 -59.7 2.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.593 HD13 ' CE2' ' A' ' 61' ' ' PHE . 0.3 OUTLIER -65.59 -29.93 48.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.274 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.436 ' C ' ' N ' ' A' ' 19' ' ' SER . 0.0 OUTLIER -57.05 -14.07 3.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.252 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -47.74 -22.96 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.487 ' OG ' ' N ' ' A' ' 20' ' ' ALA . 1.7 p -86.19 -149.71 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.977 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.487 ' N ' ' OG ' ' A' ' 19' ' ' SER . . . -154.45 23.18 0.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.17 41.38 3.04 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.479 1.112 . . . . 0.0 111.043 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -142.39 -76.32 0.04 OUTLIER Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.436 ' CB ' ' HA ' ' A' ' 79' ' ' MET . 0.0 OUTLIER -164.97 163.41 20.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 0.76 . . . . 0.0 110.276 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.593 ' CD1' ' N ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -161.63 164.11 29.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.6 p -94.6 123.85 38.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.45 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.582 ' HG ' ' CZ2' ' A' ' 78' ' ' TRP . 0.3 OUTLIER -76.74 -24.85 53.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.63 -47.97 82.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -72.15 -42.43 65.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.505 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 0.7 OUTLIER -53.09 -50.61 44.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.295 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 30.3 m120 -72.03 -30.67 65.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -56.39 -48.51 76.74 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.461 1.101 . . . . 0.0 110.268 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.638 ' CD1' ' C ' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -79.67 -30.01 41.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.573 HD13 ' CE1' ' A' ' 32' ' ' TYR . 1.8 tp -54.42 -48.38 71.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.3 ttp -75.93 -31.13 58.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 111.037 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.67 -13.03 78.23 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.528 1.142 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.75 -51.09 3.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.525 0.78 . . . . 0.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.465 ' CE1' HD13 ' A' ' 11' ' ' LEU . 6.0 m-85 -80.85 113.72 42.63 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.945 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -39.97 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.497 1.788 . . . . 0.0 111.029 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -60.8 -31.88 71.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 110.991 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.56 ' CD2' ' CZ2' ' A' ' 47' ' ' TRP . 2.5 m-85 -69.63 -40.29 76.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.986 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -81.05 -11.21 59.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 0.0 110.272 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -100.86 -47.29 1.63 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.438 1.086 . . . . 0.0 111.012 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 52.5 m -69.48 -74.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 0.733 . . . . 0.0 109.993 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.424 ' O ' ' CG ' ' A' ' 44' ' ' TYR . 1.5 p90 -174.67 132.81 0.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 111.015 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 10.2 m -98.66 47.87 0.98 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.362 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -123.82 57.02 0.67 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.487 1.117 . . . . 0.0 111.02 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.56 ' CZ2' ' CD2' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -126.91 12.36 7.25 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.058 -1.089 . . . . 0.0 108.058 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.0 mtm180 -61.16 -23.73 65.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.294 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -74.93 -52.69 10.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.279 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.68 -38.4 73.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.025 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.448 HG11 ' CD1' ' A' ' 12' ' ' ILE . 4.8 t -62.3 -57.21 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.581 ' HG3' ' CH2' ' A' ' 78' ' ' TRP . 41.7 ttt180 -54.89 -44.64 74.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.347 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.44 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 4.0 t-160 -56.39 -57.79 10.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.1 . . . . 0.0 109.615 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.37 -26.98 68.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.483 ' CD2' HD13 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -58.88 -52.67 64.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 t -81.8 -23.79 36.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.978 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.44 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 0.5 OUTLIER -78.99 1.06 25.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -119.46 -51.81 2.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.579 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . 1.0 OUTLIER -80.91 -58.68 2.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.527 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.8 OUTLIER 90.4 69.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 108.326 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.593 ' CE2' HD13 ' A' ' 16' ' ' ILE . 5.6 p90 -133.73 -163.36 1.35 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 110.999 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 49.0 t -119.69 156.87 22.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.612 ' HB2' ' CD1' ' A' ' 78' ' ' TRP . 0.0 OUTLIER -119.01 151.11 38.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.509 ' CG2' ' O ' ' A' ' 77' ' ' TYR . 19.2 m . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.553 ' CD1' ' N ' ' A' ' 77' ' ' TYR . 1.6 p90 -139.5 162.36 35.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 111.044 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.612 ' CD1' ' HB2' ' A' ' 63' ' ' LYS . 16.9 m0 -118.33 161.22 20.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 107.998 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.436 ' HA ' ' CB ' ' A' ' 23' ' ' ARG . 2.2 ptm -119.29 113.6 21.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.516 ' CD1' HG12 ' A' ' 16' ' ' ILE . 2.5 pt? -121.05 141.04 51.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 23.1 p-10 -146.41 144.28 20.7 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.168 0 O-C-N 124.504 1.792 . . . . 0.0 111.005 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 N--CA 1.452 -0.355 0 CA-C-O 120.523 0.202 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.417 HG13 ' N ' ' A' ' 10' ' ' ALA . 46.0 pt -65.07 -42.86 95.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.417 ' N ' HG13 ' A' ' 9' ' ' ILE . . . -59.7 -49.52 77.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.562 HD12 ' CZ ' ' A' ' 37' ' ' PHE . 0.5 OUTLIER -56.24 -44.1 79.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.253 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.482 ' CG2' HD21 ' A' ' 55' ' ' LEU . 1.1 mp -63.13 -40.81 90.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.417 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 4.4 m -57.45 -55.81 30.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.404 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.415 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 3.1 ptt? -62.67 -26.27 68.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.506 ' O ' ' CG1' ' A' ' 29' ' ' ILE . . . -73.25 -48.98 30.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.356 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.591 ' CD1' ' CD2' ' A' ' 80' ' ' LEU . 0.4 OUTLIER -74.34 -19.04 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.417 ' HB2' ' O ' ' A' ' 13' ' ' THR . 2.2 mtt180 -72.42 -2.51 19.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 110.324 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -65.03 -11.33 37.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.405 ' OG ' ' N ' ' A' ' 20' ' ' ALA . 9.1 p -95.04 -146.12 0.27 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.029 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.405 ' N ' ' OG ' ' A' ' 19' ' ' SER . . . -155.96 25.6 0.37 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 80' ' ' LEU . . . 82.28 39.99 10.63 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.564 1.165 . . . . 0.0 111.032 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 80' ' ' LEU . . . -138.02 -68.98 0.05 OUTLIER Glycine 0 CA--C 1.531 1.048 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.0 ptt180 -161.43 150.89 16.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 0.787 . . . . 0.0 110.325 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.519 ' C ' ' CD2' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -161.06 153.89 20.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.351 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -99.94 116.16 31.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.44 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.578 HD21 ' CE3' ' A' ' 78' ' ' TRP . 1.3 mm? -63.67 -25.94 68.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.54 -48.95 73.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -67.66 -34.9 77.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.506 ' CG1' ' O ' ' A' ' 15' ' ' ALA . 1.2 mp -60.05 -57.32 12.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -62.99 -29.63 70.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -58.21 -51.61 69.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 110.325 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.613 ' CD1' ' C ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -79.15 -25.31 42.87 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.107 . . . . 0.0 110.995 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.542 HD11 ' CZ ' ' A' ' 32' ' ' TYR . 2.6 tp -58.88 -49.42 77.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 0.0 109.307 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 5.9 mtp -79.05 -19.78 50.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 111.019 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -80.14 -38.75 17.77 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.516 1.135 . . . . 0.0 110.936 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -82.36 -37.05 26.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 0.766 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.562 ' CZ ' HD12 ' A' ' 11' ' ' LEU . 5.8 m-85 -108.87 107.26 59.91 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -29.64 8.03 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.507 1.793 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -54.4 -39.55 67.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 111.044 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -77.19 -36.07 55.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 110.982 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -80.98 4.67 18.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -118.27 -40.42 0.68 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.589 1.181 . . . . 0.0 110.963 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.9 m -69.81 -75.73 0.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 0.756 . . . . 0.0 110.005 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.557 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 1.8 p90 -170.1 123.37 0.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 111.012 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 71.7 p -91.23 33.14 0.98 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 110.366 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -100.37 42.43 1.96 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.469 1.106 . . . . 0.0 110.955 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.406 ' CD1' ' O ' ' A' ' 44' ' ' TYR . 2.3 p-90 -124.16 3.72 8.57 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 15.1 ttm180 -50.17 -36.44 30.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.421 ' H ' ' ND2' ' A' ' 49' ' ' ASN . 2.9 p30 -80.14 -51.0 9.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 82.3 p -53.89 -44.8 70.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.989 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.474 HG22 ' CD1' ' A' ' 12' ' ' ILE . 0.9 OUTLIER -68.94 -55.29 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.527 ' HG3' ' CZ2' ' A' ' 78' ' ' TRP . 10.3 ttm105 -48.03 -29.79 3.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.314 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -76.09 -52.65 9.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.616 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.416 ' O ' ' HB2' ' A' ' 58' ' ' ASN . 0.7 OUTLIER -66.3 -17.63 64.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.123 . . . . 0.0 109.264 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.488 HD11 ' CZ3' ' A' ' 78' ' ' TRP . 0.0 OUTLIER -80.17 -48.63 12.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.432 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -64.99 -42.47 94.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.996 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.489 ' O ' ' CD1' ' A' ' 57' ' ' LEU . 0.4 OUTLIER -80.78 1.44 30.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.416 ' HB2' ' O ' ' A' ' 54' ' ' ASN . 0.5 OUTLIER -80.62 -72.55 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.506 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 1.6 m-20 -80.89 -36.63 30.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.5 OUTLIER 88.2 57.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 108.325 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.597 ' CE1' ' CE3' ' A' ' 78' ' ' TRP . 1.0 OUTLIER -119.23 -167.71 1.45 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.5 ' CG1' ' SD ' ' A' ' 79' ' ' MET . 5.3 p -119.17 146.21 24.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.414 ' HA ' ' HA ' ' A' ' 78' ' ' TRP . 0.0 OUTLIER -118.96 163.06 17.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.337 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -122.51 142.2 50.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.969 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.597 ' CE3' ' CE1' ' A' ' 61' ' ' PHE . 12.0 m0 -118.46 140.42 49.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.128 . . . . 0.0 107.97 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.5 ' SD ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -119.22 102.84 9.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.976 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.591 ' HB3' ' CD2' ' A' ' 61' ' ' PHE . 1.0 OUTLIER -121.15 137.29 54.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.346 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 38.7 p-10 -142.22 157.95 62.26 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.133 0 O-C-N 124.479 1.779 . . . . 0.0 111.012 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.483 0.182 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.0 pt -56.9 -30.99 34.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.26 -51.55 43.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.102 . . . . 0.0 109.276 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.451 ' O ' ' CG ' ' A' ' 14' ' ' MET . 0.2 OUTLIER -54.03 -48.99 69.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.411 ' CG1' HD13 ' A' ' 55' ' ' LEU . 1.0 OUTLIER -62.58 -43.88 98.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.5 m -53.48 -47.68 69.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.346 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.531 ' HE1' ' CE1' ' A' ' 37' ' ' PHE . 5.3 ptt? -76.12 -18.23 59.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 111.047 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.45 ' O ' ' CG1' ' A' ' 29' ' ' ILE . . . -76.34 -49.04 17.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.454 ' HA ' ' CD1' ' A' ' 24' ' ' LEU . 15.2 mm -73.58 -31.95 34.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.59 -15.88 8.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 110.282 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.407 ' CB ' HD11 ' A' ' 29' ' ' ILE . 32.7 t70 -58.15 -26.23 62.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.437 ' OG ' ' CB ' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -83.8 -149.63 0.1 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 109.967 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -166.25 30.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 85.58 43.24 6.57 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -142.44 -72.97 0.03 OUTLIER Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.481 ' HA ' ' HA ' ' A' ' 79' ' ' MET . 3.8 ppt_? -161.56 159.32 27.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 0.763 . . . . 0.0 110.302 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.496 ' HG ' ' N ' ' A' ' 25' ' ' THR . 0.0 OUTLIER -151.62 158.35 43.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.496 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 80.7 p -108.19 110.16 21.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.375 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.573 ' CD2' ' CD2' ' A' ' 78' ' ' TRP . 3.6 mm? -59.47 -32.46 70.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.05 -52.75 64.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.25 -45.68 87.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.46 ' CD1' HD13 ' A' ' 24' ' ' LEU . 0.6 OUTLIER -55.54 -30.58 26.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -72.22 -54.43 9.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -61.1 -25.39 66.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -80.69 -49.83 10.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.509 ' C ' ' CD1' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -59.58 -39.03 82.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.461 ' N ' ' CD1' ' A' ' 33' ' ' LEU . 13.9 mtt -65.33 -49.2 70.32 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.529 1.143 . . . . 0.0 111.018 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.2 -8.41 50.07 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.528 1.142 . . . . 0.0 111.012 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.64 -23.71 12.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 0.767 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.531 ' CE1' ' HE1' ' A' ' 14' ' ' MET . 8.3 m-85 -125.04 96.74 39.31 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 110.998 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -32.99 5.01 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.497 1.788 . . . . 0.0 111.037 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -62.69 -33.3 74.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.738 ' CE2' ' CD2' ' A' ' 47' ' ' TRP . 1.0 OUTLIER -75.01 -26.82 59.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 111.004 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 39.6 ttt-85 -88.47 17.35 5.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.298 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -143.44 53.94 0.59 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.48 1.113 . . . . 0.0 111.041 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.6 m -155.41 -71.47 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 0.767 . . . . 0.0 110.014 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.566 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 5.1 p90 -163.99 105.99 0.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 58.6 p -74.38 57.61 0.71 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.338 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -138.58 25.95 2.81 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.5 1.125 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.738 ' CD2' ' CE2' ' A' ' 40' ' ' PHE . 0.9 OUTLIER -100.28 -4.31 29.58 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.45 ' HG3' ' CZ3' ' A' ' 47' ' ' TRP . 11.1 mtp180 -60.08 -29.94 68.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 110.31 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -74.42 -54.86 6.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 19.7 m -63.95 -36.3 83.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.009 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.7 t -64.67 -56.85 13.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.569 ' HG2' ' CH2' ' A' ' 78' ' ' TRP . 41.8 mtm180 -55.3 -44.7 76.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.117 . . . . 0.0 110.346 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.21 -55.49 30.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.592 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -65.73 -22.46 66.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.616 HD22 ' CZ3' ' A' ' 78' ' ' TRP . 0.6 OUTLIER -61.9 -50.91 70.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.596 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -81.23 -26.72 35.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.008 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -80.81 1.07 32.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 20.9 t30 -106.82 -74.16 0.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.554 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 0.3 OUTLIER -66.47 -53.5 34.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.26 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.543 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 1.2 t 91.3 65.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 108.27 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.596 ' CE1' ' HA ' ' A' ' 56' ' ' SER . 0.2 OUTLIER -119.12 -166.19 1.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.982 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -117.02 165.06 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.526 ' HE2' ' CE2' ' A' ' 78' ' ' TRP . 26.4 ttmt -119.33 150.66 39.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.424 ' N ' ' HG2' ' A' ' 63' ' ' LYS . 44.2 t . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.509 ' C ' ' HD1' ' A' ' 78' ' ' TRP . 5.4 p90 -120.65 156.57 31.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 111.053 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.616 ' CZ3' HD22 ' A' ' 55' ' ' LEU . 13.6 m0 -113.12 157.78 21.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.14 . . . . 0.0 107.991 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.481 ' HA ' ' HA ' ' A' ' 23' ' ' ARG . 2.9 mtp -119.36 110.62 17.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 111.052 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.551 ' HB3' ' CD2' ' A' ' 61' ' ' PHE . 0.6 OUTLIER -118.92 141.41 48.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 -145.43 157.91 51.69 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.202 0 O-C-N 124.466 1.772 . . . . 0.0 111.0 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.479 0.18 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.4 pp -54.61 -37.74 40.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.89 -42.37 94.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.465 ' CD1' ' C ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -57.07 -51.25 70.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.477 ' CD1' HD12 ' A' ' 55' ' ' LEU . 9.2 mm -56.02 -49.72 73.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.353 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.433 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 19.2 m -48.69 -53.22 19.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 110.433 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.46 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 8.2 ptt? -72.14 -13.57 61.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 111.024 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 11' ' ' LEU . . . -79.62 -45.61 18.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.494 HD13 ' CD2' ' A' ' 55' ' ' LEU . 9.6 mm -80.59 -20.86 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.433 ' HB2' ' O ' ' A' ' 13' ' ' THR . 0.1 OUTLIER -64.01 -10.03 19.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 110.302 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.483 ' CB ' HD11 ' A' ' 29' ' ' ILE . 6.7 t70 -63.19 -33.17 74.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.406 ' OG ' ' N ' ' A' ' 20' ' ' ALA . 10.5 p -84.3 -144.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.128 . . . . 0.0 109.971 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.406 ' N ' ' OG ' ' A' ' 19' ' ' SER . . . -167.86 31.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 84.96 43.23 6.81 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.496 1.122 . . . . 0.0 110.969 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 80' ' ' LEU . . . -143.89 -70.37 0.02 OUTLIER Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.8 ptt85 -161.32 159.64 28.73 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.511 0.771 . . . . 0.0 110.258 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.484 ' CD1' ' HA ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -158.0 162.89 38.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.464 ' HA ' ' HA ' ' A' ' 77' ' ' TYR . 65.3 p -109.68 120.19 41.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 110.414 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.606 HD21 ' CE3' ' A' ' 78' ' ' TRP . 3.0 mm? -71.97 -25.38 61.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.61 -57.93 7.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.57 -39.17 92.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 110.311 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.483 HD11 ' CB ' ' A' ' 18' ' ' ASP . 1.2 mp -59.23 -57.14 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 60.2 m-20 -49.68 -43.01 46.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -70.3 -24.02 62.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.309 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.407 ' N ' ' O ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -80.97 -37.76 28.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.984 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.702 ' CD2' ' CD2' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -69.1 -43.82 73.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.548 ' N ' ' CD1' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -62.41 -44.06 97.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.998 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.64 -5.13 67.69 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -106.01 -36.64 6.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 0.784 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.702 ' CD2' ' CD2' ' A' ' 33' ' ' LEU . 9.9 m-30 -103.51 106.74 53.39 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -19.34 17.82 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.476 1.777 . . . . 0.0 110.951 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -78.07 -28.26 48.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.768 ' CD2' ' CZ2' ' A' ' 47' ' ' TRP . 0.0 OUTLIER -78.74 -33.8 46.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.46 11.59 12.18 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.475 1.109 . . . . 0.0 110.264 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -128.14 24.74 5.01 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.48 1.112 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 69.8 m -138.25 -76.81 0.38 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 0.791 . . . . 0.0 110.011 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.554 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 1.9 p90 -168.33 118.51 0.77 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.6 t -85.75 60.55 6.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.14 . . . . 0.0 110.374 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -137.36 41.73 1.37 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.768 ' CZ2' ' CD2' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -115.48 13.95 16.56 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 15.5 ttt-85 -61.22 -25.75 67.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 31.5 t-20 -73.5 -53.37 10.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.413 1.071 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.4 -26.93 62.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.995 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.5 t -73.13 -59.49 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.282 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.419 ' HG3' ' N ' ' A' ' 53' ' ' HIS . 0.8 OUTLIER -57.9 -33.73 69.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 110.339 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.423 ' CE1' HD13 ' A' ' 57' ' ' LEU . 65.8 t-80 -64.41 -55.62 19.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.602 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.455 ' O ' ' N ' ' A' ' 58' ' ' ASN . 1.2 t30 -64.34 -31.29 72.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.656 ' CD2' ' CZ3' ' A' ' 78' ' ' TRP . 0.4 OUTLIER -57.2 -48.68 78.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.596 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 1.6 t -77.55 -33.44 54.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.027 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.423 HD13 ' CE1' ' A' ' 53' ' ' HIS . 2.6 mp -80.85 0.97 32.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 54' ' ' ASN . 2.5 m-20 -96.46 -92.26 0.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.563 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 0.4 OUTLIER -53.67 -46.33 70.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.5 OUTLIER 88.82 62.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 108.301 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.596 ' CE1' ' HA ' ' A' ' 56' ' ' SER . 0.2 OUTLIER -119.22 -164.74 1.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 111.009 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 76.1 t -115.86 158.33 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.273 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.565 ' HB2' ' CD1' ' A' ' 78' ' ' TRP . 0.0 OUTLIER -119.05 160.39 22.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 99.0 t . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 179.994 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 48.2 p-10 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.514 ' CD1' ' N ' ' A' ' 77' ' ' TYR . 2.5 p90 -137.0 159.46 41.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 110.995 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.656 ' CZ3' ' CD2' ' A' ' 55' ' ' LEU . 27.3 m0 -114.71 165.46 12.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 107.984 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 11.2 ttm -124.16 109.45 13.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.494 ' CB ' ' HB3' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -118.21 150.74 38.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 109.298 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -166.92 140.82 3.15 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.15 0 O-C-N 124.529 1.805 . . . . 0.0 111.013 -179.974 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.499 0.19 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 13.7 tt -67.94 -47.5 78.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 109.332 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.07 -38.4 88.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.48 ' CD2' HD21 ' A' ' 33' ' ' LEU . 2.6 tp -59.17 -53.35 59.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.494 ' O ' ' CG2' ' A' ' 16' ' ' ILE . 1.1 mp -63.6 -36.15 75.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.3 m -59.15 -50.79 72.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.408 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.462 ' CE ' HD12 ' A' ' 11' ' ' LEU . 6.1 ptt? -69.52 -25.54 64.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.5 ' O ' ' CG1' ' A' ' 29' ' ' ILE . . . -71.9 -58.38 3.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.574 HD13 ' CE2' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -67.9 -25.14 31.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.69 -14.7 6.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.098 . . . . 0.0 110.293 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -53.9 -19.95 5.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.451 ' OG ' ' N ' ' A' ' 20' ' ' ALA . 5.4 p -88.35 -146.12 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.953 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.451 ' N ' ' OG ' ' A' ' 19' ' ' SER . . . -168.84 36.41 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.0 44.84 7.94 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.47 1.106 . . . . 0.0 111.037 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 80' ' ' LEU . . . -147.08 -67.96 0.01 OUTLIER Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.07 144.69 13.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.566 0.803 . . . . 0.0 110.287 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.538 ' O ' ' CD1' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -138.18 148.29 44.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.273 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.6 p -99.32 116.76 32.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.431 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.638 ' HG ' ' CZ2' ' A' ' 78' ' ' TRP . 1.2 mm? -74.22 -22.89 59.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.24 -52.61 64.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.09 -40.18 71.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.512 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 1.2 mp -55.31 -52.34 46.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -70.54 -29.2 65.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -57.67 -49.19 77.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.637 ' CD1' ' C ' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -78.72 -29.43 45.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.598 ' CD1' ' CZ ' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -58.11 -52.19 66.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 10.6 ttt -70.74 -25.76 63.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -78.82 -27.82 55.9 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.48 -29.89 16.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 0.794 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.448 ' CE2' ' CD1' ' A' ' 11' ' ' LEU . 9.7 m-85 -133.3 87.07 39.46 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.973 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -55.16 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.55 1.816 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.431 ' CD1' ' N ' ' A' ' 40' ' ' PHE . 18.5 p90 -59.94 -25.89 65.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.601 ' CE1' ' OH ' ' A' ' 44' ' ' TYR . 1.9 t80 -71.61 -16.07 62.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.967 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.564 ' HD2' ' CE3' ' A' ' 47' ' ' TRP . 3.8 ttt180 -98.84 29.56 3.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.324 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -154.1 60.37 0.39 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.2 m -139.34 -66.4 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 0.0 109.995 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.601 ' OH ' ' CE1' ' A' ' 40' ' ' PHE . 6.1 p90 -116.77 146.19 42.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 42.3 m -82.8 48.68 1.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.415 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -150.59 70.53 0.31 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.564 ' CE3' ' HD2' ' A' ' 41' ' ' ARG . 0.1 OUTLIER -101.69 -82.45 0.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.8 ttm-85 -52.07 -26.34 10.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.312 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -73.53 -52.54 13.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.309 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 52.3 p -71.98 -25.8 62.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.021 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.451 HG13 ' CG1' ' A' ' 12' ' ' ILE . 50.3 t -68.63 -56.68 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.546 ' HG3' ' CH2' ' A' ' 78' ' ' TRP . 1.1 ttt180 -63.82 -33.57 75.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.284 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.489 ' O ' ' CD1' ' A' ' 57' ' ' LEU . 1.6 m-70 -62.06 -57.44 11.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 109.582 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -66.99 -31.95 72.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.347 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.612 ' O ' ' CZ ' ' A' ' 61' ' ' PHE . 4.7 mt -58.74 -55.21 38.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.445 ' O ' ' HA ' ' A' ' 60' ' ' CYS . 0.0 OUTLIER -74.77 -29.49 61.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.008 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.489 ' CD1' ' O ' ' A' ' 53' ' ' HIS . 5.2 mt -80.89 1.03 32.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.409 ' OD1' ' C ' ' A' ' 58' ' ' ASN . 12.8 t-20 -95.42 -88.98 0.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 0.9 OUTLIER -81.08 -38.15 27.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.5 OUTLIER 88.06 84.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 108.317 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.612 ' CZ ' ' O ' ' A' ' 55' ' ' LEU . 0.7 OUTLIER -127.09 -167.19 1.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.992 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.8 p -117.77 162.87 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.567 ' HG3' ' CD1' ' A' ' 78' ' ' TRP . 1.0 OUTLIER -119.05 146.41 45.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.515 ' CG1' ' O ' ' A' ' 77' ' ' TYR . 7.6 p . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 14.6 p30 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.515 ' O ' ' CG1' ' A' ' 64' ' ' VAL . 4.1 p90 -150.43 165.32 33.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.638 ' CZ2' ' HG ' ' A' ' 26' ' ' LEU . 30.1 m0 -116.83 161.08 19.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 107.998 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.403 ' O ' ' HB2' ' A' ' 61' ' ' PHE . 2.2 ttp -115.95 121.49 42.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 111.055 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.506 ' CD1' ' CG1' ' A' ' 16' ' ' ILE . 1.6 pt? -129.5 135.51 48.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -152.25 107.28 2.79 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.153 0 O-C-N 124.448 1.762 . . . . 0.0 111.009 179.998 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.558 ' CE2' ' OH ' ' A' ' 44' ' ' TYR . 16.2 m-85 . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.526 0.203 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.2 pp -50.47 -27.84 4.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.02 -46.98 40.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.497 ' CD1' ' C ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -54.8 -36.21 64.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.483 ' CG2' ' HG ' ' A' ' 55' ' ' LEU . 1.0 OUTLIER -72.93 -46.22 52.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.345 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.514 ' O ' ' CG ' ' A' ' 17' ' ' ARG . 15.1 m -55.03 -45.61 75.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 110.418 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.42 ' HG3' ' N ' ' A' ' 15' ' ' ALA . 11.3 ptt? -71.12 -34.24 70.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.166 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.466 ' HB3' ' CG2' ' A' ' 29' ' ' ILE . . . -66.09 -62.3 1.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.482 ' HA ' ' CD1' ' A' ' 24' ' ' LEU . 2.7 tp -60.96 -29.43 45.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.273 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.514 ' CG ' ' O ' ' A' ' 13' ' ' THR . 0.0 OUTLIER -55.84 -19.45 11.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.324 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -50.18 -33.48 19.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.247 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 60.1 p -85.14 -143.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.02 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -170.25 33.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.359 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 84.45 44.18 6.64 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.453 1.096 . . . . 0.0 110.981 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 80' ' ' LEU . . . -139.39 -72.84 0.05 OUTLIER Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -162.94 154.41 17.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 0.794 . . . . 0.0 110.294 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.482 ' CD1' ' HA ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -161.27 154.57 21.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 109.331 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.448 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 4.3 p -102.34 97.71 7.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.366 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.577 HD23 ' CE3' ' A' ' 78' ' ' TRP . 0.3 OUTLIER -49.75 -33.37 16.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.57 -50.49 69.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.252 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -64.99 -32.99 74.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 0.0 110.29 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.471 ' CD1' HD11 ' A' ' 24' ' ' LEU . 1.2 mp -67.8 -35.52 72.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -70.95 -39.07 72.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -69.85 -30.1 67.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.329 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.522 ' CG ' ' N ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -80.64 -54.57 5.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 111.012 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.575 HD22 ' CD1' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -53.71 -44.94 70.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.142 . . . . 0.0 109.299 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.561 ' N ' ' CD1' ' A' ' 33' ' ' LEU . 9.3 ttp -69.0 -43.21 75.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -59.76 -27.58 64.36 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.502 1.126 . . . . 0.0 111.0 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.09 -56.5 3.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 0.744 . . . . 0.0 109.328 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.575 ' CD1' HD22 ' A' ' 33' ' ' LEU . 13.5 m-85 -69.76 114.32 23.86 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 111.047 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 -37.73 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.45 1.763 . . . . 0.0 110.978 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -62.9 -30.87 71.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.406 ' HZ ' ' CE1' ' A' ' 8' ' ' TYR . 6.8 m-85 -77.3 -20.69 54.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 111.036 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.2 ttt-85 -90.97 29.19 1.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -121.35 -63.94 0.24 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.473 1.108 . . . . 0.0 111.022 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 45' ' ' THR . 1.3 m -134.65 -64.82 0.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 0.74 . . . . 0.0 109.965 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.558 ' OH ' ' CE2' ' A' ' 8' ' ' TYR . 3.5 t80 -38.38 96.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.428 ' N ' ' O ' ' A' ' 43' ' ' SER . 3.3 m -134.6 -42.81 0.76 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.412 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -74.19 57.07 2.35 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.523 1.14 . . . . 0.0 110.971 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.458 ' CE3' ' CG2' ' A' ' 51' ' ' VAL . 6.0 p-90 -125.67 4.77 7.48 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.507 ' O ' ' CG ' ' A' ' 52' ' ' ARG . 2.4 ttm180 -60.38 -29.8 69.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.277 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.41 ' O ' ' HG3' ' A' ' 52' ' ' ARG . 11.8 m120 -72.71 -49.28 32.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.7 t -69.43 -38.1 77.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.991 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.458 ' CG2' ' CE3' ' A' ' 47' ' ' TRP . 2.9 t -68.88 -61.63 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.507 ' CG ' ' O ' ' A' ' 48' ' ' ARG . 0.3 OUTLIER -52.8 -32.04 41.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.278 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.509 ' O ' ' CB ' ' A' ' 57' ' ' LEU . 2.4 t60 -70.32 -48.36 56.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.609 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -74.31 -9.44 58.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.123 . . . . 0.0 109.277 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.486 ' CD1' ' CD1' ' A' ' 26' ' ' LEU . 0.4 OUTLIER -82.27 -53.83 5.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.583 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -81.37 -13.09 58.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.986 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.509 ' CB ' ' O ' ' A' ' 53' ' ' HIS . 2.1 tp -81.13 -29.98 34.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -89.51 -77.36 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.649 ' HB3' ' CD2' ' A' ' 61' ' ' PHE . 0.6 OUTLIER -44.96 -42.87 8.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.409 ' HA ' ' O ' ' A' ' 56' ' ' SER . 1.6 m 68.48 55.97 0.48 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 108.333 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.649 ' CD2' ' HB3' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -118.75 -165.94 1.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 111.022 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 50.1 t -119.33 158.55 20.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 78' ' ' TRP . 2.8 ptpt -130.55 173.68 10.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -119.16 131.95 55.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 111.032 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.577 ' CE3' HD23 ' A' ' 26' ' ' LEU . 15.2 m0 -116.96 141.65 47.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 107.993 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.504 ' O ' ' CE ' ' A' ' 79' ' ' MET . 0.1 OUTLIER -119.01 108.46 14.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.596 ' HB3' ' CD2' ' A' ' 61' ' ' PHE . 0.8 OUTLIER -120.42 154.2 35.48 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.427 ' C ' ' ND2' ' A' ' 81' ' ' ASN . 1.0 OUTLIER -172.68 144.5 1.29 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.414 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.165 0 O-C-N 124.501 1.79 . . . . 0.0 110.951 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.532 0.206 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.3 pt -57.62 -37.54 59.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.27 -56.1 12.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.464 ' CD1' HD23 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -48.19 -38.83 19.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.348 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.475 HD13 ' CD1' ' A' ' 55' ' ' LEU . 16.9 mm -67.8 -47.54 79.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.09 . . . . 0.0 109.327 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.4 m -53.68 -50.69 65.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.357 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.523 ' CE ' ' CE1' ' A' ' 37' ' ' PHE . 2.1 ptt? -74.28 -20.63 60.08 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.451 1.095 . . . . 0.0 111.005 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.406 ' O ' HG12 ' A' ' 29' ' ' ILE . . . -69.34 -53.1 21.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.494 ' CG2' ' CD1' ' A' ' 80' ' ' LEU . 5.7 mm -73.43 -29.46 27.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.157 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.11 -21.68 0.79 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.31 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.403 ' N ' ' C ' ' A' ' 16' ' ' ILE . 10.4 t0 -52.98 -30.5 35.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.1 p -91.87 -146.03 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.001 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -170.08 32.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 80' ' ' LEU . . . 85.47 43.16 6.64 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.568 1.167 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 80' ' ' LEU . . . -140.56 -69.39 0.04 OUTLIER Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.39 159.92 28.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 0.756 . . . . 0.0 110.335 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.507 ' CD1' HG12 ' A' ' 29' ' ' ILE . 0.1 OUTLIER -155.32 157.87 37.85 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -110.9 98.3 7.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 110.426 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.591 HD23 ' CE3' ' A' ' 78' ' ' TRP . 3.2 mm? -51.54 -30.8 21.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.39 -53.35 53.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -73.27 -38.49 65.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.282 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.507 HG12 ' CD1' ' A' ' 24' ' ' LEU . 1.1 mp -60.49 -39.23 80.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 58.0 m-20 -73.68 -36.65 65.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.142 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -57.88 -42.49 84.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.347 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.715 ' CD1' ' C ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -81.05 -41.77 22.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.959 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.483 ' N ' ' CG ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -49.01 -42.7 39.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.574 1.171 . . . . 0.0 109.307 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.403 ' N ' ' CD1' ' A' ' 33' ' ' LEU . 19.4 ttp -77.32 -46.1 24.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -59.47 -18.57 44.43 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.522 1.139 . . . . 0.0 110.958 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.58 -28.27 13.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 0.764 . . . . 0.0 109.332 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.523 ' CE1' ' CE ' ' A' ' 14' ' ' MET . 3.7 m-85 -105.67 107.95 60.46 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -37.65 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.55 1.816 . . . . 0.0 111.033 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -57.2 -35.16 69.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 110.954 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.755 ' CE2' ' CE2' ' A' ' 47' ' ' TRP . 0.0 OUTLIER -80.42 -23.72 40.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 -89.18 8.39 30.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -139.76 51.45 0.74 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.53 1.144 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 54.8 m -156.45 -82.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 0.734 . . . . 0.0 109.967 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.552 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 2.2 p90 -159.19 119.97 3.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 111.035 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.7 m -86.37 57.91 4.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 110.409 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -137.36 50.12 0.83 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.496 1.122 . . . . 0.0 110.959 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.755 ' CE2' ' CE2' ' A' ' 40' ' ' PHE . 0.6 OUTLIER -125.79 9.42 7.61 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.88 -40.86 85.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -73.14 -50.75 20.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 29.7 t -59.48 -55.0 40.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 110.007 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.463 HG12 ' CD1' ' A' ' 12' ' ' ILE . 51.6 t -54.22 -46.84 68.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.567 ' HG2' ' CH2' ' A' ' 78' ' ' TRP . 50.8 mtt180 -57.43 -42.52 82.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -56.81 -58.2 9.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.613 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.489 ' O ' ' N ' ' A' ' 58' ' ' ASN . 1.8 t-20 -61.2 -37.51 83.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.606 HD21 ' CZ3' ' A' ' 78' ' ' TRP . 0.8 OUTLIER -48.34 -50.28 30.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.59 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 1.1 t -81.37 -28.57 34.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.994 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.9 mp -80.81 3.48 22.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 0.0 109.326 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.489 ' N ' ' O ' ' A' ' 54' ' ' ASN . 29.6 t-20 -106.14 -67.67 0.92 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.573 ' HB3' ' CD2' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -75.6 -48.07 23.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.341 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.475 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.1 OUTLIER 85.72 64.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 108.288 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.599 ' CD2' ' HB3' ' A' ' 80' ' ' LEU . 0.2 OUTLIER -119.33 -163.26 0.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 111.01 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.419 ' O ' ' HB3' ' A' ' 78' ' ' TRP . 98.0 t -115.2 149.86 17.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.605 ' HB2' ' CD1' ' A' ' 78' ' ' TRP . 0.0 OUTLIER -117.6 150.5 38.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.451 HG11 ' CE2' ' A' ' 77' ' ' TYR . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.451 ' CE2' HG11 ' A' ' 64' ' ' VAL . 2.7 p90 -150.51 160.16 43.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.973 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.606 ' CZ3' HD21 ' A' ' 55' ' ' LEU . 21.4 m0 -115.28 164.65 13.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 107.999 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -119.94 112.05 18.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.599 ' HB3' ' CD2' ' A' ' 61' ' ' PHE . 0.8 OUTLIER -118.67 151.11 38.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.08 . . . . 0.0 109.302 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 13.4 p-10 -156.18 157.48 31.21 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.546 1.814 . . . . 0.0 110.99 -179.985 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.466 0.174 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 65.0 mt -61.63 -53.85 42.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.346 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.11 -32.48 71.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.249 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.43 ' O ' ' CG ' ' A' ' 14' ' ' MET . 0.8 OUTLIER -59.7 -50.67 72.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 109.288 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.444 HD11 ' CG2' ' A' ' 51' ' ' VAL . 0.6 OUTLIER -62.56 -40.5 88.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.424 ' OG1' ' ND2' ' A' ' 58' ' ' ASN . 51.7 m -56.28 -54.12 49.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.411 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.43 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 6.4 ptt? -65.48 -26.59 68.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 111.019 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.466 ' CB ' HG12 ' A' ' 29' ' ' ILE . . . -66.82 -52.7 40.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.606 HD12 ' CE2' ' A' ' 61' ' ' PHE . 0.7 OUTLIER -76.32 -20.11 15.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 109.307 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.56 -9.97 22.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -75.9 -4.86 43.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.588 ' O ' ' CB ' ' A' ' 20' ' ' ALA . 1.1 p -70.05 -50.73 38.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.973 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.588 ' CB ' ' O ' ' A' ' 19' ' ' SER . . . 90.34 43.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 54.11 55.17 27.51 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.477 1.111 . . . . 0.0 111.042 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -163.34 -76.96 0.03 OUTLIER Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.426 ' C ' ' HB2' ' A' ' 19' ' ' SER . 0.0 OUTLIER -162.5 160.66 26.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 0.766 . . . . 0.0 110.318 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.48 HD11 ' CD1' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -160.12 159.69 32.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.271 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.47 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 4.0 p -104.51 105.64 15.83 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.457 1.098 . . . . 0.0 110.427 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.601 HD21 ' CE3' ' A' ' 78' ' ' TRP . 0.6 OUTLIER -46.52 -29.09 1.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.8 -45.44 67.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.98 -27.71 63.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.578 1.174 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.48 ' CD1' HD11 ' A' ' 24' ' ' LEU . 1.1 mt -62.21 -59.06 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 -66.32 -29.01 69.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.347 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -57.47 -50.15 73.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 110.296 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.616 ' CD1' ' C ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -80.49 -24.34 39.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.948 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.579 HD13 ' CE1' ' A' ' 32' ' ' TYR . 2.1 tp -64.01 -52.58 58.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.2 mtp -73.99 -30.29 62.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 111.014 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -80.13 -17.42 74.37 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.523 1.14 . . . . 0.0 111.012 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.493 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 5.6 tttp -103.02 -49.59 3.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 0.775 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -98.68 109.29 52.67 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 111.032 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -39.74 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.514 1.797 . . . . 0.0 110.975 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -52.62 -36.19 55.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.76 ' CE2' ' CE2' ' A' ' 47' ' ' TRP . 0.1 OUTLIER -74.08 -36.2 64.28 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.128 . . . . 0.0 111.009 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.4 ttt-85 -80.61 2.18 26.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.277 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -125.52 43.78 1.33 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.526 1.141 . . . . 0.0 110.968 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.4 m -152.14 -75.13 0.14 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.464 0.744 . . . . 0.0 110.011 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.562 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 1.7 p90 -173.12 115.43 0.26 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 111.043 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 74.6 p -86.79 50.75 2.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.407 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -126.72 39.59 1.95 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.493 1.121 . . . . 0.0 110.943 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.76 ' CE2' ' CE2' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -109.82 9.47 24.68 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.06 -24.44 39.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.251 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 44.4 m-20 -77.38 -52.76 8.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 109.361 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 87.0 p -68.7 -35.01 76.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.993 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.444 ' CG2' HD11 ' A' ' 12' ' ' ILE . 2.4 t -66.1 -54.97 21.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.426 ' CG ' ' CH2' ' A' ' 78' ' ' TRP . 1.5 tmm_? -55.78 -40.26 72.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.228 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.419 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 0.2 OUTLIER -60.63 -55.96 26.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.571 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -65.13 -16.65 63.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.575 ' CD1' ' CZ3' ' A' ' 78' ' ' TRP . 0.5 OUTLIER -71.11 -54.43 11.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.9 t -81.06 -21.85 39.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.969 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.419 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 4.5 tp -80.33 0.8 31.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.424 ' ND2' ' OG1' ' A' ' 13' ' ' THR . 59.5 t-20 -123.73 -54.13 1.75 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.147 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.6 ' HB3' ' CD2' ' A' ' 61' ' ' PHE . 0.3 OUTLIER -80.22 -50.22 10.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 34.0 m 75.56 69.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 108.288 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.606 ' CE2' HD12 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -127.31 -165.46 1.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.989 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 85.1 t -118.74 152.82 20.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.514 ' HD3' ' CE2' ' A' ' 78' ' ' TRP . 2.6 ttpt -120.58 148.13 44.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.568 HG23 ' CE2' ' A' ' 77' ' ' TYR . 16.6 m . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.267 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.7 p30 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.621 ' CD1' ' N ' ' A' ' 77' ' ' TYR . 0.4 OUTLIER -129.31 153.26 48.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.601 ' CE3' HD21 ' A' ' 26' ' ' LEU . 13.8 m0 -113.02 153.7 27.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 107.999 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.2 ptm -119.4 108.16 14.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.985 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.586 ' HB3' ' CD2' ' A' ' 61' ' ' PHE . 0.4 OUTLIER -119.5 136.04 54.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.112 . . . . 0.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -145.63 98.5 4.53 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.173 0 O-C-N 124.478 1.778 . . . . 0.0 110.965 179.983 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.426 ' CD1' HD23 ' A' ' 11' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.499 0.19 . . . . 0.0 110.977 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -48.64 -31.7 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.47 -52.23 19.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 109.35 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.426 HD23 ' CD1' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -55.92 -35.83 67.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.463 HD11 ' CG2' ' A' ' 51' ' ' VAL . 1.1 mp -74.26 -36.88 44.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.5 m -61.47 -46.2 91.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.41 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.444 ' CG ' ' OH ' ' A' ' 32' ' ' TYR . 13.2 ptt? -75.61 -29.66 59.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.127 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.528 ' HA ' ' CE2' ' A' ' 32' ' ' TYR . . . -69.51 -58.48 3.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.475 ' CD1' HD21 ' A' ' 55' ' ' LEU . 22.1 mm -63.85 -32.69 58.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.46 -22.13 1.11 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -48.58 -30.99 5.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.117 . . . . 0.0 109.26 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 59.5 p -91.77 -144.73 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.968 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -173.05 34.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 80' ' ' LEU . . . 85.7 43.09 6.58 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.506 1.129 . . . . 0.0 110.966 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 80' ' ' LEU . . . -142.72 -69.52 0.03 OUTLIER Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.36 158.7 27.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 0.765 . . . . 0.0 110.297 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.473 ' CD1' ' HA ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -156.17 164.1 38.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.414 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 6.1 p -114.22 111.68 21.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.393 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.578 HD23 ' CE3' ' A' ' 78' ' ' TRP . 2.2 mm? -63.36 -26.38 68.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.24 -53.32 54.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.412 ' O ' ' HB3' ' A' ' 32' ' ' TYR . 3.7 tm-20 -66.61 -42.37 86.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.494 ' CG1' ' O ' ' A' ' 15' ' ' ALA . 1.1 mp -62.68 -30.94 50.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -67.95 -51.73 44.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 0.0 109.298 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -68.15 -23.58 64.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 110.321 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.528 ' CE2' ' HA ' ' A' ' 15' ' ' ALA . 0.2 OUTLIER -80.8 -39.26 27.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.986 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.553 ' CD1' ' N ' ' A' ' 34' ' ' MET . 0.0 OUTLIER -69.24 -46.63 66.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.553 ' N ' ' CD1' ' A' ' 33' ' ' LEU . 5.7 ttp -74.39 -31.04 62.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.943 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -79.24 3.96 64.62 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.5 mmtp -115.65 -36.87 4.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 0.771 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.406 ' CB ' ' HB2' ' A' ' 40' ' ' PHE . 10.5 m-30 -98.28 110.52 56.66 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -27.27 10.26 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.501 1.79 . . . . 0.0 110.976 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -74.57 -22.29 59.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 111.022 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.406 ' HB2' ' CB ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -80.32 -38.51 30.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 111.032 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.32 3.27 18.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -123.31 19.2 7.69 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.2 m -126.95 -85.87 0.6 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 0.805 . . . . 0.0 110.038 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.567 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 2.0 p90 -159.35 122.38 3.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 16.2 m -91.13 53.27 2.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 110.447 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -123.04 41.26 1.82 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.504 1.128 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.401 ' HD1' ' CE1' ' A' ' 44' ' ' TYR . 0.0 OUTLIER -118.4 7.24 11.89 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.19 -43.32 67.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -79.36 -51.85 8.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.355 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.52 -46.71 66.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.994 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.486 ' O ' ' N ' ' A' ' 55' ' ' LEU . 1.9 p -66.19 -48.79 80.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.474 ' N ' ' CG1' ' A' ' 51' ' ' VAL . 0.2 OUTLIER -49.18 -39.53 29.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.259 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -67.97 -57.07 6.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.628 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.466 ' O ' ' ND2' ' A' ' 58' ' ' ASN . 3.9 m120 -63.3 -14.66 52.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.68 ' CD2' ' CZ3' ' A' ' 78' ' ' TRP . 0.6 OUTLIER -81.24 -43.28 19.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.599 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 6.7 p -77.72 -29.36 51.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 0.0 109.965 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.0 mt -81.69 -30.28 32.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.466 ' ND2' ' O ' ' A' ' 54' ' ' ASN . 0.5 OUTLIER -60.1 -86.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.604 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 0.2 OUTLIER -56.24 -54.66 42.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.604 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 4.8 t 98.49 56.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 108.306 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.599 ' CE1' ' HA ' ' A' ' 56' ' ' SER . 0.2 OUTLIER -119.11 -166.45 1.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.0 m -117.03 169.85 7.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.469 ' HB3' ' CD1' ' A' ' 78' ' ' TRP . 17.1 mttt -118.59 163.22 17.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 60.4 t . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.99 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 25.8 t30 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.545 ' CD1' ' N ' ' A' ' 77' ' ' TYR . 1.7 p90 -140.82 157.74 44.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.97 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.68 ' CZ3' ' CD2' ' A' ' 55' ' ' LEU . 18.6 m0 -114.46 162.83 16.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 108.037 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 12.2 ttm -119.63 114.39 22.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 111.03 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.596 ' HB3' ' CD2' ' A' ' 61' ' ' PHE . 1.2 pt? -119.96 157.33 29.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.245 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 11.1 p-10 -168.56 160.46 8.66 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.177 0 O-C-N 124.532 1.806 . . . . 0.0 110.982 -179.984 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.49 0.186 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.407 ' O ' ' OG1' ' A' ' 13' ' ' THR . 0.1 OUTLIER -68.82 -15.42 19.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.85 -51.93 9.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.535 ' CD1' ' CD2' ' A' ' 33' ' ' LEU . 1.1 pp -61.95 -37.99 86.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.528 ' CG1' HD11 ' A' ' 55' ' ' LEU . 0.7 OUTLIER -68.87 -41.38 82.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.46 ' O ' ' CG ' ' A' ' 17' ' ' ARG . 9.3 m -62.53 -50.57 70.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.385 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.523 ' CE ' ' OH ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -74.78 -15.17 60.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 11' ' ' LEU . . . -80.24 -55.4 4.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.586 HD13 ' CE2' ' A' ' 61' ' ' PHE . 0.4 OUTLIER -72.29 -23.17 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.46 ' CG ' ' O ' ' A' ' 13' ' ' THR . 12.2 mtt-85 -61.05 -10.19 5.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.577 1.173 . . . . 0.0 110.352 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -80.84 6.43 13.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.493 ' O ' ' CB ' ' A' ' 20' ' ' ALA . 3.9 p -83.46 -39.03 21.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.007 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 19' ' ' SER . . . 82.99 41.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 48.85 45.98 31.79 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.507 1.129 . . . . 0.0 111.022 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 80' ' ' LEU . . . -149.83 -72.11 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.1 ptt180 -161.05 158.88 28.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 0.779 . . . . 0.0 110.314 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.494 ' CD1' ' CD1' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -160.18 160.24 32.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.482 ' HA ' ' HA ' ' A' ' 77' ' ' TYR . 0.1 OUTLIER -102.34 101.73 12.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 110.402 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.587 ' HG ' ' CZ2' ' A' ' 78' ' ' TRP . 0.3 OUTLIER -51.64 -35.22 41.23 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.73 -49.18 65.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 109.295 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.67 -30.97 71.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.344 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.494 ' CD1' ' CD1' ' A' ' 24' ' ' LEU . 1.3 mp -68.28 -39.24 80.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -63.97 -52.68 58.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -29.83 70.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 110.234 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.523 ' OH ' ' CE ' ' A' ' 14' ' ' MET . 1.3 t80 -77.38 -30.61 53.77 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.487 1.117 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.535 ' CD2' ' CD1' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -73.54 -52.67 12.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.1 ptm -71.51 -21.62 61.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -79.88 -22.06 64.59 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.525 1.14 . . . . 0.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.99 -59.77 1.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.423 0.72 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -70.02 113.11 15.23 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 111.021 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -32.94 4.95 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.454 1.765 . . . . 0.0 111.006 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -65.47 -31.82 73.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 110.971 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.806 ' CD2' ' CZ2' ' A' ' 47' ' ' TRP . 1.5 m-30 -73.8 -38.17 64.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -89.94 24.79 2.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.329 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -143.34 -45.42 0.05 OUTLIER Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.522 1.139 . . . . 0.0 111.02 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 26.8 m -69.71 -76.63 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 0.798 . . . . 0.0 109.984 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.548 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 2.6 p90 -168.49 125.74 1.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.962 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.49 HG21 ' CZ2' ' A' ' 47' ' ' TRP . 36.0 m -94.83 39.82 1.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 110.403 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -102.74 46.8 1.18 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.475 1.109 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.806 ' CZ2' ' CD2' ' A' ' 40' ' ' PHE . 0.8 OUTLIER -128.91 17.78 6.18 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.0 -47.34 74.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 110.316 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -79.1 -40.75 30.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.18 -50.76 72.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.04 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.42 HG13 ' CG1' ' A' ' 12' ' ' ILE . 13.0 t -65.98 -47.68 84.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.402 ' HG2' ' CH2' ' A' ' 78' ' ' TRP . 61.0 mtt180 -53.96 -40.4 66.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.324 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -67.63 -58.35 4.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.606 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.405 ' O ' ' OD1' ' A' ' 58' ' ' ASN . 81.0 m-20 -58.14 -20.99 44.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.663 ' CD2' ' CZ3' ' A' ' 78' ' ' TRP . 0.8 OUTLIER -78.85 -40.01 33.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 109.328 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.589 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -72.19 -45.08 61.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.003 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.7 pp -79.4 0.82 27.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.405 ' OD1' ' O ' ' A' ' 54' ' ' ASN . 0.4 OUTLIER -77.02 -76.0 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.261 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.541 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 0.2 OUTLIER -82.23 -32.56 29.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.461 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.1 OUTLIER 84.65 61.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 108.289 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.589 ' CE1' ' HA ' ' A' ' 56' ' ' SER . 0.3 OUTLIER -119.32 -165.5 1.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.973 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.5 p -117.52 154.48 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.553 ' HB2' ' CD1' ' A' ' 78' ' ' TRP . 0.5 OUTLIER -119.07 157.32 28.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.261 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 58.3 t . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 -179.983 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.533 ' C ' ' HD1' ' A' ' 78' ' ' TRP . 1.9 p90 -141.79 163.25 33.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.663 ' CZ3' ' CD2' ' A' ' 55' ' ' LEU . 13.4 m0 -114.59 167.8 10.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 0.0 108.0 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.33 109.53 12.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.087 . . . . 0.0 110.996 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.585 ' HB3' ' CD2' ' A' ' 61' ' ' PHE . 0.7 OUTLIER -119.26 148.28 43.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 29.6 p30 -153.68 154.35 30.17 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.19 0 O-C-N 124.452 1.764 . . . . 0.0 111.024 -179.996 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 120.474 0.178 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -56.42 -50.4 72.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.88 -31.47 72.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.587 1.179 . . . . 0.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.56 HD12 ' CZ ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -62.75 -42.67 99.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.483 ' O ' ' N ' ' A' ' 15' ' ' ALA . 4.4 mm -68.29 -64.42 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -42.16 -36.62 1.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.384 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 40.7 ttp -74.91 -36.83 62.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 111.04 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' A' ' 12' ' ' ILE . . . -69.13 -37.63 78.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.108 . . . . 0.0 109.277 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.555 ' HA ' ' CD2' ' A' ' 24' ' ' LEU . 10.3 mm -78.16 -28.26 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.49 -16.34 3.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 110.286 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -72.76 -26.55 61.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.252 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.611 ' O ' ' CB ' ' A' ' 20' ' ' ALA . 0.7 OUTLIER -69.28 -58.37 4.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.016 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.611 ' CB ' ' O ' ' A' ' 19' ' ' SER . . . 91.87 45.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 50.6 57.23 10.94 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.553 1.158 . . . . 0.0 110.985 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 80' ' ' LEU . . . -158.02 -74.07 0.02 OUTLIER Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.1 ppt_? -161.21 156.25 23.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 0.754 . . . . 0.0 110.278 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.555 ' CD2' ' HA ' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -160.92 170.52 20.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.459 ' HA ' ' HA ' ' A' ' 77' ' ' TYR . 7.5 p -113.59 114.1 26.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.511 1.132 . . . . 0.0 110.373 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.596 HD21 ' CE3' ' A' ' 78' ' ' TRP . 3.3 mm? -62.65 -28.15 69.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.24 -51.32 68.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -74.2 -36.61 64.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.247 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.582 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 0.6 OUTLIER -56.41 -52.85 47.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.413 ' N ' HG23 ' A' ' 29' ' ' ILE . 62.0 t-20 -70.52 -31.4 68.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -54.69 -45.55 73.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.289 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.663 ' CD1' ' C ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -80.08 -34.1 38.31 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 111.024 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.601 ' CD1' ' CZ ' ' A' ' 32' ' ' TYR . 1.9 tp -52.51 -48.36 66.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -80.59 -33.35 36.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -76.61 -0.99 69.68 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.512 1.132 . . . . 0.0 110.977 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.5 tttt -113.66 -51.1 2.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 0.75 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.56 ' CZ ' HD12 ' A' ' 11' ' ' LEU . 38.5 m-85 -83.64 115.76 61.16 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 110.991 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -36.8 2.33 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.476 1.777 . . . . 0.0 110.98 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -62.16 -32.2 72.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 110.997 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 1.8 m-30 -70.91 -45.42 64.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.1 ptt85 -83.35 7.8 15.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.319 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -113.21 -48.97 0.58 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.5 1.125 . . . . 0.0 110.968 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.2 m -70.04 -76.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 0.738 . . . . 0.0 110.002 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.542 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 2.0 p90 -156.88 122.96 4.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.978 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.0 t -89.39 37.95 0.88 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.388 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -114.54 57.7 0.46 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.474 1.109 . . . . 0.0 111.044 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 1.2 p-90 -131.25 21.63 4.82 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.8 ttp180 -63.55 -47.28 82.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 56.2 m-20 -74.95 -34.72 62.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.1 t -69.02 -53.63 19.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.163 . . . . 0.0 109.996 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.473 ' CG2' HD12 ' A' ' 12' ' ' ILE . 4.6 p -57.08 -51.0 74.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.472 ' N ' ' CG1' ' A' ' 51' ' ' VAL . 0.7 OUTLIER -56.88 -39.62 74.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.27 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.476 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 37.2 t60 -56.54 -57.36 12.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.557 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.5 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 2.5 m-20 -65.19 -28.42 69.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.261 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.564 ' CD2' ' CZ3' ' A' ' 78' ' ' TRP . 0.3 OUTLIER -55.34 -54.13 47.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.572 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.3 OUTLIER -81.22 -29.05 34.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.992 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.476 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 1.4 tp -80.12 0.73 30.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 9.5 t30 -103.44 -81.44 0.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.609 ' HB3' ' CD2' ' A' ' 61' ' ' PHE . 1.1 t70 -62.83 -53.6 51.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.562 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 4.0 t 92.98 66.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 108.278 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.609 ' CD2' ' HB3' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -119.5 -164.58 1.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.987 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 70.0 t -115.52 153.68 17.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.171 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.607 ' HB3' ' CD1' ' A' ' 78' ' ' TRP . 0.0 OUTLIER -119.22 154.27 33.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 13.1 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 109.297 179.972 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.459 ' HA ' ' HA ' ' A' ' 25' ' ' THR . 1.3 p90 -126.42 160.39 30.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 111.026 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.607 ' CD1' ' HB3' ' A' ' 63' ' ' LYS . 28.0 m0 -115.18 158.58 22.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 107.991 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -119.91 113.78 21.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 111.027 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.576 ' CB ' ' HB3' ' A' ' 61' ' ' PHE . 1.1 pt? -118.31 159.17 23.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -175.38 133.12 0.46 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.135 0 O-C-N 124.551 1.816 . . . . 0.0 110.983 -179.978 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.461 ' HA ' ' CD2' ' A' ' 11' ' ' LEU . 20.9 m-30 . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.461 0.172 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.1 tt -68.73 -37.14 77.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.341 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.54 -56.93 4.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.325 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.462 HD11 ' CD2' ' A' ' 33' ' ' LEU . 0.7 OUTLIER -50.11 -38.49 38.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.49 ' CD1' HD11 ' A' ' 55' ' ' LEU . 4.0 mm -65.58 -49.93 74.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.1 m -47.29 -46.75 25.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.391 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.445 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 3.3 ptt? -77.41 -22.94 50.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.993 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.98 -46.56 77.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.482 HD11 ' CD1' ' A' ' 55' ' ' LEU . 2.7 mm -80.38 -32.13 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.63 -23.28 0.64 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.333 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.4 ' N ' ' C ' ' A' ' 16' ' ' ILE . 63.4 t0 -49.68 -38.05 31.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.34 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.2 -145.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.045 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -166.53 30.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 84.43 40.51 8.37 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 80' ' ' LEU . . . -136.11 -71.08 0.06 OUTLIER Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.044 -0.823 . . . . 0.0 111.044 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.02 160.98 31.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 0.76 . . . . 0.0 110.335 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.45 ' CD1' ' HA ' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -150.11 160.72 43.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 60.3 p -113.34 111.48 22.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.396 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.584 ' CD2' ' CD2' ' A' ' 78' ' ' TRP . 4.6 mm? -60.91 -28.48 68.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.72 -53.41 51.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -71.69 -35.39 70.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.282 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.57 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 0.7 OUTLIER -59.7 -50.54 79.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.528 ' OD1' ' CZ3' ' A' ' 47' ' ' TRP . 1.3 t30 -68.53 -32.0 71.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -56.14 -49.57 73.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.594 ' CD1' ' C ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -72.93 -34.75 66.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 0.0 110.996 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.462 ' CD2' HD11 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -55.08 -52.06 64.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.1 ttp -73.1 -38.09 66.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.42 -14.81 69.71 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.527 1.142 . . . . 0.0 110.961 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 44.8 tttp -96.83 -56.52 2.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 0.753 . . . . 0.0 109.339 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -71.32 114.36 27.09 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -16.79 19.97 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.558 1.82 . . . . 0.0 111.03 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -89.66 -23.13 21.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.983 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 4.6 m-30 -84.54 -18.63 35.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -88.82 20.75 3.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 110.297 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -115.46 -66.89 0.42 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 45' ' ' THR . 5.4 m -125.99 -56.52 1.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 0.739 . . . . 0.0 109.977 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.51 ' O ' ' NE1' ' A' ' 47' ' ' TRP . 0.3 OUTLIER -59.88 81.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.449 ' N ' ' O ' ' A' ' 43' ' ' SER . 21.2 m -131.15 4.11 4.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.415 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -118.08 42.54 1.8 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.448 1.093 . . . . 0.0 110.987 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.605 ' CE3' ' CG2' ' A' ' 51' ' ' VAL . 1.7 p-90 -103.72 7.57 37.28 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -55.8 -22.22 23.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.263 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -77.12 -50.75 12.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 68.4 m -73.06 -34.01 66.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.99 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.605 ' CG2' ' CE3' ' A' ' 47' ' ' TRP . 2.0 t -65.89 -54.82 23.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 55.2 mtm180 -59.13 -42.93 91.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.332 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.49 ' O ' ' CB ' ' A' ' 57' ' ' LEU . 0.2 OUTLIER -55.34 -51.14 67.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.585 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.573 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 2.2 t30 -70.25 -29.36 66.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.62 ' CD2' ' CZ3' ' A' ' 78' ' ' TRP . 0.3 OUTLIER -54.37 -55.99 23.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.594 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 1.5 t -82.1 -28.32 32.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.965 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.49 ' CB ' ' O ' ' A' ' 53' ' ' HIS . 1.9 tp -80.21 1.7 27.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.573 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 6.4 t-20 -108.6 -79.31 0.58 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.125 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.66 ' HB3' ' CD2' ' A' ' 61' ' ' PHE . 4.0 t70 -61.22 -51.54 68.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.522 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 7.0 m 89.12 66.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 108.28 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.66 ' CD2' ' HB3' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -122.59 -164.56 1.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.96 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.432 ' O ' ' HB3' ' A' ' 78' ' ' TRP . 11.7 t -115.24 149.91 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.615 ' HB2' ' CD1' ' A' ' 78' ' ' TRP . 0.0 OUTLIER -116.59 150.38 38.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.313 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.261 179.986 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.544 ' CD1' ' N ' ' A' ' 77' ' ' TYR . 2.0 p90 -137.81 157.31 46.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.62 ' CZ3' ' CD2' ' A' ' 55' ' ' LEU . 27.2 m0 -114.73 163.55 15.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 108.005 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.22 111.94 18.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 111.022 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.585 ' HB3' ' CD2' ' A' ' 61' ' ' PHE . 0.6 OUTLIER -119.43 145.12 46.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 -155.1 157.96 31.95 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.461 1.769 . . . . 0.0 111.029 179.99 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.563 ' CE2' HG22 ' A' ' 51' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.526 0.203 . . . . 0.0 110.994 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -64.9 -36.35 77.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.79 -43.75 35.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.546 ' CD1' ' CE2' ' A' ' 37' ' ' PHE . 0.3 OUTLIER -58.11 -39.25 78.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.483 ' CG2' ' N ' ' A' ' 13' ' ' THR . 0.4 OUTLIER -69.32 -60.21 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.339 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.483 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 3.6 m -48.2 -33.47 8.57 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.462 1.101 . . . . 0.0 110.409 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.475 ' CE ' ' OH ' ' A' ' 32' ' ' TYR . 34.4 ttp -74.35 -42.49 59.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 111.017 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.503 ' CB ' HG13 ' A' ' 29' ' ' ILE . . . -65.56 -51.55 58.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.602 HD13 ' CE2' ' A' ' 61' ' ' PHE . 0.4 OUTLIER -66.46 -31.36 53.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.457 ' CG ' ' O ' ' A' ' 13' ' ' THR . 0.0 OUTLIER -53.23 -17.7 1.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.25 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -45.76 -25.81 0.56 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.484 ' HB3' ' CB ' ' A' ' 24' ' ' LEU . 5.1 p -86.52 -145.77 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.024 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.454 ' N ' ' OG ' ' A' ' 19' ' ' SER . . . -171.61 33.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 86.15 44.51 5.93 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.468 1.105 . . . . 0.0 111.023 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 80' ' ' LEU . . . -148.41 -66.98 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.2 ptt85 -161.28 141.08 10.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.608 0.828 . . . . 0.0 110.314 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.515 ' CD1' ' HB2' ' A' ' 78' ' ' TRP . 0.0 OUTLIER -135.75 142.55 45.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.428 ' N ' HD23 ' A' ' 24' ' ' LEU . 76.0 p -92.24 114.95 27.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.392 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.556 ' HG ' ' CZ2' ' A' ' 78' ' ' TRP . 0.2 OUTLIER -74.61 -25.92 59.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.94 -48.24 77.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.67 -35.17 72.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.328 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.503 HG13 ' CB ' ' A' ' 15' ' ' ALA . 1.3 mp -61.32 -60.97 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -61.9 -30.05 70.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -56.96 -51.6 68.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.598 ' CE1' HD11 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -80.84 -17.32 51.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 111.044 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.598 HD11 ' CE1' ' A' ' 32' ' ' TYR . 2.6 tp -71.37 -49.48 41.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 5.6 ptt? -71.08 -22.75 62.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 110.967 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.59 -43.94 42.17 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.52 1.137 . . . . 0.0 110.993 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.9 mtmt -74.43 -40.25 62.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 0.749 . . . . 0.0 109.238 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.546 ' CE2' ' CD1' ' A' ' 11' ' ' LEU . 4.9 m-85 -121.33 75.85 32.74 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 111.012 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -19.16 18.17 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.48 1.779 . . . . 0.0 110.993 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -90.91 -20.71 21.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 111.021 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.59 ' CE1' ' OH ' ' A' ' 44' ' ' TYR . 4.6 t80 -86.01 -15.29 41.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.527 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 0.0 OUTLIER -98.21 26.8 5.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.315 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -150.79 58.0 0.44 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.469 1.106 . . . . 0.0 110.996 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.66 -71.02 0.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 109.982 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.59 ' OH ' ' CE1' ' A' ' 40' ' ' PHE . 7.5 p90 -110.13 143.08 40.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.158 . . . . 0.0 111.025 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 30.5 m -77.61 53.87 1.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.45 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -156.55 72.53 0.24 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.527 ' CE2' ' HA ' ' A' ' 41' ' ' ARG . 0.2 OUTLIER -106.65 -75.11 0.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.421 ' O ' ' CB ' ' A' ' 52' ' ' ARG . 11.7 mtm180 -58.48 -29.39 66.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.12 . . . . 0.0 110.289 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -71.27 -54.46 10.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 73.2 m -67.3 -45.36 76.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.988 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.563 HG22 ' CE2' ' A' ' 8' ' ' TYR . 15.8 t -58.18 -52.21 61.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.421 ' CB ' ' O ' ' A' ' 48' ' ' ARG . 2.3 tmt_? -61.05 -32.2 71.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.304 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.409 ' O ' ' HB3' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -62.82 -56.2 19.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.545 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.492 ' HA ' ' CD2' ' A' ' 57' ' ' LEU . 1.5 m-80 -67.03 -33.54 75.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.687 ' O ' ' CZ ' ' A' ' 61' ' ' PHE . 3.6 mt -59.42 -46.4 88.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.555 1.159 . . . . 0.0 109.316 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.433 ' O ' ' HA ' ' A' ' 60' ' ' CYS . 10.5 p -76.3 -36.42 58.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.021 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.501 ' O ' ' CD1' ' A' ' 57' ' ' LEU . 0.2 OUTLIER -81.3 1.98 30.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.445 ' HB3' ' O ' ' A' ' 55' ' ' LEU . 12.2 t-20 -85.34 -94.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.439 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 1.2 m-20 -81.92 -31.74 31.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 0.0 109.342 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.439 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 10.0 m 82.97 86.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 108.303 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.687 ' CZ ' ' O ' ' A' ' 55' ' ' LEU . 0.5 OUTLIER -128.91 -165.52 1.52 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 60.1 t -116.94 155.25 18.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.576 ' HG3' ' CD1' ' A' ' 78' ' ' TRP . 8.7 ttmt -119.64 142.91 48.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.577 HG11 ' CE2' ' A' ' 77' ' ' TYR . 9.8 p . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.446 ' N ' ' OD1' ' A' ' 76' ' ' ASN . 5.3 p-10 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.604 ' CD1' ' N ' ' A' ' 77' ' ' TYR . 0.6 OUTLIER -134.7 160.04 39.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.958 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.576 ' CD1' ' HG3' ' A' ' 63' ' ' LYS . 8.8 m0 -113.8 160.17 19.0 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.0 ttm -118.92 109.42 15.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 111.017 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.57 ' HB3' ' CD2' ' A' ' 61' ' ' PHE . 0.2 OUTLIER -119.3 137.86 53.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -148.17 157.09 43.19 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.173 0 O-C-N 124.462 1.769 . . . . 0.0 110.993 -179.983 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.442 ' CD1' HD22 ' A' ' 11' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.458 0.17 . . . . 0.0 111.006 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.43 HG21 ' N ' ' A' ' 10' ' ' ALA . 1.7 tp -53.49 -34.1 22.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.43 ' N ' HG21 ' A' ' 9' ' ' ILE . . . -72.43 -46.15 56.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.491 ' CD1' ' C ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -54.83 -37.36 66.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.493 ' O ' ' N ' ' A' ' 15' ' ' ALA . 45.3 mm -68.42 -57.74 8.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 50.9 m -42.87 -42.63 3.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.404 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.522 ' CE ' ' OH ' ' A' ' 32' ' ' TYR . 9.5 ptt? -80.5 -24.1 39.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 12' ' ' ILE . . . -73.29 -51.29 18.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.5 ' CG2' ' HG ' ' A' ' 24' ' ' LEU . 1.6 mm -72.92 -34.11 45.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.418 ' HB2' ' HA ' ' A' ' 14' ' ' MET . 0.0 OUTLIER -46.17 -23.39 0.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 110.277 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.422 ' N ' ' C ' ' A' ' 16' ' ' ILE . 5.4 t70 -60.23 -31.04 69.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.54 ' OG ' ' N ' ' A' ' 20' ' ' ALA . 1.4 p -68.79 -68.09 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.997 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.54 ' N ' ' OG ' ' A' ' 19' ' ' SER . . . 86.35 49.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 61.96 59.78 9.08 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.514 1.134 . . . . 0.0 111.042 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -155.64 -73.99 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.43 ' O ' ' HB2' ' A' ' 19' ' ' SER . 3.1 ptt180 -159.61 132.8 6.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 0.763 . . . . 0.0 110.283 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.512 ' CD1' HD23 ' A' ' 26' ' ' LEU . 2.0 tm? -118.37 130.04 55.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.0 p -102.97 121.73 43.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.1 . . . . 0.0 110.378 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.626 ' CD2' ' CD2' ' A' ' 78' ' ' TRP . 4.1 mm? -75.59 -21.76 57.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.34 -57.23 7.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.89 -34.45 77.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 110.27 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.3 mp -65.37 -40.56 88.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -61.69 -49.92 74.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.82 -27.36 68.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.356 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.522 ' OH ' ' CE ' ' A' ' 14' ' ' MET . 0.8 OUTLIER -80.23 -26.13 39.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.482 ' CD2' HD11 ' A' ' 11' ' ' LEU . 0.6 OUTLIER -75.47 -52.58 10.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 109.305 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 74.6 mtm -67.37 -26.03 66.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -79.8 -20.43 68.27 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.538 1.149 . . . . 0.0 110.981 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.504 ' HG3' ' CE1' ' A' ' 32' ' ' TYR . 3.1 mmtm -103.89 -58.85 1.81 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 0.768 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -78.13 113.92 37.71 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.966 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -39.5 1.18 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.492 1.786 . . . . 0.0 110.984 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -61.55 -30.66 70.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -76.45 -29.11 56.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 111.016 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.7 ttt180 -99.39 30.65 3.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.3 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -148.36 -45.96 0.03 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.489 1.118 . . . . 0.0 111.055 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 28.9 m -69.74 -77.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 0.756 . . . . 0.0 109.998 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.532 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 10.4 p90 -159.11 123.82 4.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 41.3 p -89.99 36.82 0.87 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.404 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -110.71 52.8 0.61 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.481 1.113 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.44 ' NE1' ' O ' ' A' ' 44' ' ' TYR . 0.1 OUTLIER -126.9 6.3 6.62 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -55.64 -38.57 69.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.305 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -72.43 -52.27 16.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 66.6 m -59.65 -55.23 36.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.004 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.421 ' CG1' ' N ' ' A' ' 52' ' ' ARG . 0.5 OUTLIER -53.64 -44.46 57.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.421 ' N ' ' CG1' ' A' ' 51' ' ' VAL . 65.1 mtt180 -61.1 -43.82 98.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 0.0 110.338 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 61.1 m170 -55.57 -49.83 71.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.614 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.511 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 1.3 t-20 -69.31 -31.28 69.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.646 ' CD2' ' CZ3' ' A' ' 78' ' ' TRP . 0.4 OUTLIER -55.58 -52.44 63.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.098 . . . . 0.0 109.266 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.589 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -79.33 -31.94 43.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.944 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 37.2 mt -80.22 1.17 29.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.511 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 7.2 t30 -101.11 -77.47 0.54 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.659 ' HB3' ' CD2' ' A' ' 61' ' ' PHE . 3.7 t70 -67.89 -54.51 18.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.585 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 2.3 t 94.76 71.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 108.343 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.659 ' CD2' ' HB3' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -125.76 -165.1 1.38 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 110.975 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.448 ' O ' ' HB3' ' A' ' 78' ' ' TRP . 72.2 t -115.48 153.84 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.597 ' HB2' ' CD1' ' A' ' 78' ' ' TRP . 0.2 OUTLIER -116.67 148.84 40.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.572 HG21 ' CE2' ' A' ' 77' ' ' TYR . 5.5 m . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.164 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.572 ' CE2' HG21 ' A' ' 64' ' ' VAL . 27.5 p90 -143.14 160.83 39.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.973 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.646 ' CZ3' ' CD2' ' A' ' 55' ' ' LEU . 20.1 m0 -115.25 162.29 17.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 107.984 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.406 ' N ' ' O ' ' A' ' 62' ' ' VAL . 0.2 OUTLIER -117.89 122.0 42.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 111.013 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.492 ' CB ' ' HB3' ' A' ' 61' ' ' PHE . 2.2 pt? -121.99 154.7 36.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -168.01 153.33 6.72 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.15 0 O-C-N 124.495 1.787 . . . . 0.0 110.943 -179.989 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.49 0.186 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 tt -54.98 -46.25 76.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.74 -42.54 97.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.091 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.447 ' CD1' HD21 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -55.32 -44.04 75.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.424 ' CG2' ' HA ' ' A' ' 55' ' ' LEU . 20.1 mm -60.38 -55.41 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.9 m -50.49 -38.34 43.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 110.411 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 56.9 ttp -77.34 -23.64 50.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 111.046 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.14 -52.26 8.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.249 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.527 HD13 ' CD1' ' A' ' 55' ' ' LEU . 8.3 mm -69.31 -31.34 49.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -46.47 -23.76 0.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.25 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.431 ' CB ' HD12 ' A' ' 29' ' ' ILE . 5.9 t70 -48.38 -30.92 5.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 60.3 p -91.23 -143.95 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.0 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -171.05 33.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.69 43.33 7.33 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.459 1.099 . . . . 0.0 111.035 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.46 ' CA ' ' O ' ' A' ' 80' ' ' LEU . . . -141.4 -68.65 0.03 OUTLIER Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.8 ptt180 -161.08 163.74 31.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 0.749 . . . . 0.0 110.295 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.474 ' CD2' HD21 ' A' ' 80' ' ' LEU . 0.1 OUTLIER -160.45 171.82 18.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 76' ' ' ASN . 31.1 p -129.49 118.78 22.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.446 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.591 ' HG ' ' CZ2' ' A' ' 78' ' ' TRP . 4.2 mm? -66.53 -20.85 66.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.03 -51.33 68.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.63 -39.02 46.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.564 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 1.1 mp -55.1 -47.64 76.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -73.36 -36.72 66.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -49.84 -46.41 51.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.333 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.666 ' CD1' ' C ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -80.39 -35.94 34.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 110.979 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.531 HD13 ' CZ ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -54.49 -44.67 72.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.419 ' HG3' ' N ' ' A' ' 35' ' ' GLY . 5.1 ptp -80.31 -26.23 38.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 111.019 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.419 ' N ' ' HG3' ' A' ' 34' ' ' MET . . . -78.66 -21.68 68.53 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.493 1.12 . . . . 0.0 110.999 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -95.04 -59.56 1.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 0.74 . . . . 0.0 109.258 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.436 ' CZ ' HD12 ' A' ' 11' ' ' LEU . 65.0 m-85 -74.25 113.85 27.71 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -38.53 1.53 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.475 1.776 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -61.65 -32.49 72.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.404 ' HD2' ' CZ2' ' A' ' 47' ' ' TRP . 3.9 m-85 -71.81 -39.15 70.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 111.015 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.13 24.48 4.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.338 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -138.25 -48.18 0.07 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.551 1.157 . . . . 0.0 111.009 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.6 m -69.73 -68.48 0.41 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 0.777 . . . . 0.0 109.98 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.611 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 2.2 p90 -163.02 107.5 1.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 7.8 t -78.67 52.31 1.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.414 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -144.02 79.31 0.25 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.56 1.162 . . . . 0.0 111.043 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.512 ' CE3' HG23 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -139.56 17.74 2.54 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.418 ' O ' ' HG2' ' A' ' 52' ' ' ARG . 53.4 ttm-85 -58.75 -23.62 60.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.304 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -75.8 -51.75 11.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.5 p -71.56 -32.41 68.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 0.0 109.986 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.512 HG23 ' CE3' ' A' ' 47' ' ' TRP . 2.8 t -66.63 -62.22 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.418 ' HG2' ' O ' ' A' ' 48' ' ' ARG . 0.9 OUTLIER -53.27 -37.83 62.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 110.333 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.532 ' O ' ' CB ' ' A' ' 57' ' ' LEU . 0.1 OUTLIER -58.0 -53.37 59.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.6 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.519 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 3.6 t30 -72.83 -23.43 60.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.648 ' CD2' ' CZ3' ' A' ' 78' ' ' TRP . 0.2 OUTLIER -61.88 -56.74 16.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.405 ' O ' ' HA ' ' A' ' 60' ' ' CYS . 0.2 OUTLIER -79.58 -36.44 38.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.97 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.532 ' CB ' ' O ' ' A' ' 53' ' ' HIS . 7.3 tt -66.45 -9.18 31.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.519 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 16.0 t30 -103.24 -78.27 0.55 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.649 ' HB3' ' CD2' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -62.08 -56.4 19.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.325 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.509 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 4.0 t 88.81 63.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 108.292 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.649 ' CD2' ' HB3' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -119.39 -167.0 1.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.97 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 40.7 t -117.36 163.2 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.429 ' HE3' ' NE1' ' A' ' 78' ' ' TRP . 0.2 OUTLIER -118.66 155.32 31.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 10.1 t . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.249 -179.991 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.401 ' O ' ' HA ' ' A' ' 25' ' ' THR . 9.6 m120 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.531 ' C ' ' HD1' ' A' ' 78' ' ' TRP . 0.6 OUTLIER -118.31 123.45 45.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 111.028 179.92 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.648 ' CZ3' ' CD2' ' A' ' 55' ' ' LEU . 11.3 m0 -115.05 155.51 26.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 108.042 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -125.26 114.8 19.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.148 . . . . 0.0 110.973 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.518 ' CB ' ' HB3' ' A' ' 61' ' ' PHE . 1.1 pt? -120.34 153.57 36.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.265 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -166.53 154.85 9.53 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.176 0 O-C-N 124.468 1.773 . . . . 0.0 110.95 -179.983 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.51 0.195 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.416 HD12 ' N ' ' A' ' 10' ' ' ALA . 2.6 pp -61.85 -47.25 94.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.416 ' N ' HD12 ' A' ' 9' ' ' ILE . . . -61.93 -41.33 97.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.538 HD13 ' CZ ' ' A' ' 37' ' ' PHE . 0.5 OUTLIER -58.55 -50.33 74.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.338 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.413 ' O ' HG12 ' A' ' 16' ' ' ILE . 0.5 OUTLIER -61.58 -40.8 87.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 35.1 m -52.45 -48.34 65.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.423 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.436 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 7.1 ptt? -77.43 -20.23 54.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.53 -52.73 11.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 109.332 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.505 ' CD1' HD13 ' A' ' 24' ' ' LEU . 24.3 mm -69.07 -35.69 69.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -46.2 -22.24 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.424 ' N ' ' C ' ' A' ' 16' ' ' ILE . 22.1 t0 -52.87 -38.56 61.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.616 ' O ' ' CB ' ' A' ' 20' ' ' ALA . 1.7 p -70.11 -63.9 0.99 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.045 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.616 ' CB ' ' O ' ' A' ' 19' ' ' SER . . . 92.82 38.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 69.36 57.24 7.65 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.532 1.145 . . . . 0.0 110.988 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 80' ' ' LEU . . . -158.02 -74.57 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.423 ' C ' ' HB3' ' A' ' 19' ' ' SER . 0.0 OUTLIER -160.83 130.88 5.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 0.776 . . . . 0.0 110.297 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.505 HD13 ' CD1' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -119.57 169.65 9.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.434 ' HA ' ' HA ' ' A' ' 77' ' ' TYR . 72.5 p -127.52 92.84 3.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 110.388 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.593 HD23 ' CE3' ' A' ' 78' ' ' TRP . 4.5 mm? -45.22 -27.64 0.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.85 -49.98 66.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.45 -36.69 65.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 110.302 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.401 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 1.4 mp -60.03 -54.25 37.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -68.38 -28.72 67.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 0.0 109.274 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -58.45 -50.32 74.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.641 ' CD1' ' C ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -79.02 -24.96 43.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.526 HD13 ' CZ ' ' A' ' 32' ' ' TYR . 3.2 tp -59.22 -53.01 63.19 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -80.38 -29.4 37.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -79.92 -3.58 89.35 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.493 1.121 . . . . 0.0 110.948 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 10.5 tttp -113.3 -52.39 2.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 0.781 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.538 ' CZ ' HD13 ' A' ' 11' ' ' LEU . 32.5 m-85 -85.42 113.6 51.66 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -31.76 5.99 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.452 1.764 . . . . 0.0 111.066 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.4 ' O ' ' OG ' ' A' ' 43' ' ' SER . 28.3 m-85 -68.06 -31.08 70.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 110.953 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.744 ' CE2' ' CE2' ' A' ' 47' ' ' TRP . 0.1 OUTLIER -70.31 -42.72 71.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 110.968 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -81.74 5.92 17.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -133.6 45.85 1.09 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.496 1.122 . . . . 0.0 111.012 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 39' ' ' PHE . 36.2 m -151.18 -72.26 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 0.756 . . . . 0.0 110.002 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.583 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 2.7 p90 -168.58 105.66 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.996 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 10.8 m -78.16 53.97 1.29 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.399 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -136.61 39.88 1.59 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.504 1.127 . . . . 0.0 111.013 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.744 ' CE2' ' CE2' ' A' ' 40' ' ' PHE . 0.1 OUTLIER -109.49 -3.96 16.63 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 11.8 ttp85 -50.46 -25.77 4.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.243 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.422 ' O ' ' HG2' ' A' ' 52' ' ' ARG . 0.9 OUTLIER -76.6 -49.28 16.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.13 -25.05 60.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 109.992 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.471 ' N ' ' O ' ' A' ' 47' ' ' TRP . 2.9 t -71.63 -58.11 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.422 ' HG2' ' O ' ' A' ' 49' ' ' ASN . 14.7 ptt180 -56.42 -47.34 79.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.574 1.171 . . . . 0.0 110.334 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.428 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 0.6 OUTLIER -54.08 -56.78 14.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.591 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.501 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 7.1 t-20 -62.32 -29.16 70.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.582 ' CD2' ' CZ3' ' A' ' 78' ' ' TRP . 0.2 OUTLIER -54.91 -54.29 44.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.06 -27.07 33.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.005 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.428 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 1.8 tp -80.94 1.07 32.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 5.5 t30 -112.24 -66.02 1.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.577 ' HB3' ' CD2' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -79.7 -52.93 7.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.256 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.49 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 5.0 m 86.37 72.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 108.317 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.577 ' CD2' ' HB3' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -125.99 -165.7 1.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 110.99 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.408 ' O ' ' HB3' ' A' ' 78' ' ' TRP . 70.5 t -116.58 160.61 15.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.531 ' HE3' ' CE2' ' A' ' 78' ' ' TRP . 0.0 OUTLIER -118.02 154.08 32.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.436 ' N ' ' HG2' ' A' ' 63' ' ' LYS . 40.7 t . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.568 1.167 . . . . 0.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.407 ' OD1' ' O ' ' A' ' 64' ' ' VAL . 49.7 t30 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.56 ' CD1' ' N ' ' A' ' 77' ' ' TYR . 1.3 p90 -131.56 153.83 49.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.964 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.593 ' CE3' HD23 ' A' ' 26' ' ' LEU . 26.4 m0 -114.43 160.91 18.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 108.011 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.7 ptm -118.98 112.51 19.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 111.022 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.5 HD13 ' CG2' ' A' ' 16' ' ' ILE . 0.6 OUTLIER -119.01 153.25 34.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -160.23 155.87 22.25 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 109.332 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.16 0 O-C-N 124.473 1.775 . . . . 0.0 110.979 -179.937 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.476 ' HA ' ' CD2' ' A' ' 11' ' ' LEU . 4.3 m-85 . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.51 0.195 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 33.7 mt -69.84 -55.27 15.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.03 -45.45 79.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.518 ' CD1' ' CD1' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -58.54 -43.13 89.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -65.12 -37.97 81.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.0 m -58.38 -50.77 72.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.389 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.417 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 3.5 ptt? -69.59 -26.17 64.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.22 -50.96 34.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.47 ' CG2' HD11 ' A' ' 80' ' ' LEU . 11.9 mm -67.55 -30.73 49.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.2 -19.5 2.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -48.76 -32.73 9.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.3 p -89.09 -142.05 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.989 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -168.5 33.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 79.59 39.42 18.01 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.517 1.135 . . . . 0.0 110.971 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -135.22 -68.74 0.07 OUTLIER Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.1 ptt-85 -162.22 156.6 21.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 0.78 . . . . 0.0 110.278 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.451 ' CD2' ' HB2' ' A' ' 78' ' ' TRP . 0.1 OUTLIER -160.97 166.77 27.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.416 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 1.4 p -119.31 113.95 21.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.4 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.583 HD21 ' CE3' ' A' ' 78' ' ' TRP . 3.7 mm? -60.19 -20.62 59.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.66 -47.48 81.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -73.73 -39.58 64.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.425 1.078 . . . . 0.0 110.257 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.401 HG12 ' CD1' ' A' ' 24' ' ' LEU . 0.6 OUTLIER -57.69 -51.52 69.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.41 ' HA ' ' HB2' ' A' ' 33' ' ' LEU . 62.1 m-20 -69.84 -29.99 67.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -57.52 -48.97 77.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.248 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.638 ' CD1' ' C ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -80.01 -26.42 39.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 111.017 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.57 HD12 ' CZ ' ' A' ' 32' ' ' TYR . 3.1 tp -57.41 -48.41 79.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -79.86 -28.74 39.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.952 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -78.18 -6.43 87.63 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.524 1.14 . . . . 0.0 110.961 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? -111.79 -55.69 2.47 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.507 0.769 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 9.8 m-30 -83.42 113.77 48.87 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.995 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -39.86 1.06 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.451 1.764 . . . . 0.0 111.003 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -58.57 -33.62 70.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.798 ' CD2' ' CZ2' ' A' ' 47' ' ' TRP . 0.1 OUTLIER -71.5 -36.19 71.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.97 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.12 12.1 14.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.264 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -140.67 40.45 1.37 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.453 1.096 . . . . 0.0 111.032 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 39.4 m -143.5 -69.55 0.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 0.753 . . . . 0.0 110.023 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.568 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 4.4 p90 -169.93 107.99 0.37 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.6 p -77.01 56.67 1.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 110.404 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -142.49 28.52 2.19 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.525 1.141 . . . . 0.0 110.986 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.798 ' CZ2' ' CD2' ' A' ' 40' ' ' PHE . 0.9 OUTLIER -99.34 -12.53 20.22 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.2 ttt180 -50.13 -22.31 1.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -78.46 -48.52 15.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 109.258 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.76 -32.04 63.62 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.131 . . . . 0.0 109.978 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.2 t -69.32 -56.81 10.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.424 ' CG ' ' N ' ' A' ' 53' ' ' HIS . 5.1 ptt180 -57.8 -40.45 79.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.289 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.424 ' N ' ' CG ' ' A' ' 52' ' ' ARG . 0.1 OUTLIER -57.8 -55.78 30.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 109.587 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.483 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 2.1 t30 -64.3 -28.76 69.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.668 ' CD2' ' CZ3' ' A' ' 78' ' ' TRP . 1.0 OUTLIER -56.15 -51.37 68.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.272 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.6 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -80.67 -29.98 36.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.007 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.402 ' N ' HD13 ' A' ' 57' ' ' LEU . 10.7 mp -80.73 0.52 34.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.483 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 8.0 t30 -108.43 -76.16 0.62 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.605 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 1.2 m-20 -58.62 -53.14 61.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.52 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.5 OUTLIER 88.93 59.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 108.338 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.605 ' CE2' ' HB2' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -119.19 -169.52 1.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.977 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.6 p -118.65 140.55 41.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.435 ' HB2' ' CD1' ' A' ' 78' ' ' TRP . 0.1 OUTLIER -119.05 175.14 5.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.429 ' CG2' ' HB3' ' A' ' 67' ' ' ASP . 0.9 OUTLIER -119.1 136.17 57.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.321 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -77.15 88.0 3.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 40.34 89.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.429 ' HB3' ' CG2' ' A' ' 64' ' ' VAL . 0.1 OUTLIER -82.32 168.07 26.11 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 72.4 4.65 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.513 1.796 . . . . 0.0 111.037 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 36.0 t -177.59 65.74 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.01 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.94 110.73 20.22 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.274 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.553 ' O ' ' CG ' ' A' ' 72' ' ' TRP . 18.2 Cg_endo -75.02 122.74 7.39 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.498 1.788 . . . . 0.0 110.985 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.553 ' CG ' ' O ' ' A' ' 71' ' ' PRO . 9.3 m95 91.33 -36.89 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 107.964 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 100.53 62.93 0.79 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.7 pttm 177.3 51.2 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 0.731 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.58 171.46 11.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -152.11 143.01 23.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -119.33 126.88 52.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 111.024 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.668 ' CZ3' ' CD2' ' A' ' 55' ' ' LEU . 16.1 m0 -116.48 145.1 43.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 108.026 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -120.45 106.05 11.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.562 ' HB3' ' CD2' ' A' ' 61' ' ' PHE . 0.6 OUTLIER -119.64 152.56 36.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 13.5 p30 -163.41 158.03 17.31 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.186 0 O-C-N 124.471 1.774 . . . . 0.0 111.053 -179.999 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.478 ' HA ' ' CD2' ' A' ' 11' ' ' LEU . 4.6 m-85 . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.568 0.223 . . . . 0.0 111.034 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.42 HG13 ' N ' ' A' ' 10' ' ' ALA . 7.0 pt -65.65 -32.98 60.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.42 ' N ' HG13 ' A' ' 9' ' ' ILE . . . -74.2 -55.98 5.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.478 ' CD2' ' HA ' ' A' ' 8' ' ' TYR . 1.1 pp -56.35 -28.67 59.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.243 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.545 ' CD1' ' CD1' ' A' ' 55' ' ' LEU . 3.3 mm -72.55 -49.94 38.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.8 m -51.86 -45.88 64.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.412 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.3 ptt? -72.36 -31.05 65.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.964 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.81 -45.24 78.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.331 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.486 HD13 ' CD1' ' A' ' 55' ' ' LEU . 10.4 mm -73.65 -29.79 27.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.87 -17.59 1.47 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.304 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -51.47 -32.29 26.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.2 p -86.23 -144.33 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.95 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -166.07 31.68 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 80' ' ' LEU . . . 82.28 42.45 8.62 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 80' ' ' LEU . . . -141.32 -67.79 0.03 OUTLIER Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.4 ' HA ' ' HA ' ' A' ' 79' ' ' MET . 0.5 OUTLIER -160.75 155.73 24.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 0.764 . . . . 0.0 110.301 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.464 HD21 ' CD2' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -150.27 172.93 14.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.442 ' HA ' ' HA ' ' A' ' 77' ' ' TYR . 37.8 p -124.01 110.75 15.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.413 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.608 HD23 ' CE3' ' A' ' 78' ' ' TRP . 3.7 mm? -62.68 -25.13 67.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.91 -52.0 64.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -72.97 -34.03 66.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 110.316 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.428 HG12 ' CD1' ' A' ' 24' ' ' LEU . 0.9 OUTLIER -59.33 -53.91 41.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.421 ' ND2' ' HG2' ' A' ' 48' ' ' ARG . 11.8 t-20 -69.02 -29.54 67.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -57.49 -48.87 78.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.264 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.631 ' CD1' ' C ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -80.29 -25.98 39.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.976 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.517 HD11 ' CZ ' ' A' ' 32' ' ' TYR . 3.5 tp -58.45 -50.23 74.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 6.0 ttp -79.98 -20.82 44.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -80.16 -9.53 86.51 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.443 1.09 . . . . 0.0 111.008 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.12 -55.79 2.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 0.742 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -69.88 112.92 13.94 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -34.78 3.54 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.483 1.78 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -64.67 -32.24 73.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 111.012 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.795 ' CD2' ' CZ2' ' A' ' 47' ' ' TRP . 1.3 m-30 -69.31 -43.63 73.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 111.011 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -82.2 6.79 15.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 110.264 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -135.49 24.29 3.37 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.445 1.091 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.7 m -135.47 -79.93 0.43 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 0.763 . . . . 0.0 110.006 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.534 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 1.8 p90 -165.65 119.44 1.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.982 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 38.6 m -86.9 51.19 2.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.422 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -128.02 41.49 1.58 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.536 1.147 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.795 ' CZ2' ' CD2' ' A' ' 40' ' ' PHE . 2.0 p-90 -120.36 3.68 10.79 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.421 ' HG2' ' ND2' ' A' ' 30' ' ' ASN . 55.1 mtp180 -54.72 -29.15 52.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -79.32 -37.41 37.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 28.9 m -75.98 -38.72 57.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.99 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.54 ' CG1' ' N ' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -68.1 -52.28 40.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 109.305 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.54 ' N ' ' CG1' ' A' ' 51' ' ' VAL . 7.0 ptm180 -60.17 -42.82 95.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.324 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.496 ' N ' ' CG ' ' A' ' 52' ' ' ARG . 5.3 m170 -55.28 -56.97 13.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 109.59 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.466 ' O ' ' N ' ' A' ' 58' ' ' ASN . 1.3 m-20 -62.76 -31.71 72.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.265 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.596 HD23 ' CZ3' ' A' ' 78' ' ' TRP . 0.4 OUTLIER -52.88 -50.1 64.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.575 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -79.83 -30.74 40.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.161 . . . . 0.0 109.988 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -80.13 1.29 28.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.466 ' N ' ' O ' ' A' ' 54' ' ' ASN . 0.9 OUTLIER -99.21 -88.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.548 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 0.2 OUTLIER -57.26 -50.23 73.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.336 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.548 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 4.4 t 92.46 64.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 108.328 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.575 ' CE1' ' HA ' ' A' ' 56' ' ' SER . 0.2 OUTLIER -119.22 -165.33 1.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 110.982 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 93.8 t -116.19 159.15 16.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.596 ' HB2' ' CD1' ' A' ' 78' ' ' TRP . 0.0 OUTLIER -118.63 152.07 36.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 57.7 t -122.52 112.11 32.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 109.31 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.6 pp -103.61 162.31 13.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 49.01 95.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.282 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -104.25 154.15 38.48 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -49.83 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.521 1.801 . . . . 0.0 111.009 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.32 58.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 110.036 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.592 ' O ' ' CE1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -170.45 65.35 0.48 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.128 . . . . 0.0 110.268 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.428 ' C ' ' N ' ' A' ' 73' ' ' GLY . 18.4 Cg_endo -74.98 -13.29 21.49 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.482 1.78 . . . . 0.0 111.044 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.413 ' O ' ' CG2' ' A' ' 25' ' ' THR . 0.0 OUTLIER 48.63 25.16 0.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 108.025 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.428 ' N ' ' C ' ' A' ' 71' ' ' PRO . . . -171.85 -118.05 0.46 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.499 1.124 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.57 42.45 0.15 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 0.754 . . . . 0.0 109.326 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -175.61 -68.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.418 ' OD1' ' N ' ' A' ' 76' ' ' ASN . 1.0 OUTLIER -175.43 168.28 3.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.592 ' CE1' ' O ' ' A' ' 70' ' ' ARG . 5.0 p90 -131.78 157.32 44.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 111.041 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.608 ' CE3' HD23 ' A' ' 26' ' ' LEU . 31.7 m0 -114.6 161.52 17.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 108.002 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.4 ' HA ' ' HA ' ' A' ' 23' ' ' ARG . 13.8 ttm -119.23 111.32 18.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.981 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.503 ' HB3' ' CD2' ' A' ' 61' ' ' PHE . 0.7 OUTLIER -118.79 153.19 34.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -160.6 153.39 17.74 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.51 1.795 . . . . 0.0 111.071 179.951 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.453 ' HA ' ' CD2' ' A' ' 11' ' ' LEU . 4.1 m-85 . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.508 0.194 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -53.91 -40.72 45.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.52 -50.42 63.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.547 ' CD1' ' CD2' ' A' ' 33' ' ' LEU . 0.3 OUTLIER -54.97 -36.8 65.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.471 HD12 ' CD1' ' A' ' 55' ' ' LEU . 10.2 mm -67.68 -46.44 82.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.249 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 84.4 m -52.16 -49.09 64.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 110.415 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 3.9 ptt? -73.14 -26.47 61.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.22 -43.08 74.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.344 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.512 ' HA ' ' CD1' ' A' ' 24' ' ' LEU . 3.9 mm -80.77 -24.07 10.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.8 -15.46 3.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 110.301 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -58.43 -33.94 70.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.102 . . . . 0.0 109.267 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.1 p -82.79 -143.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.027 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -169.32 32.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.079 . . . . 0.0 109.308 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.427 ' CA ' ' HD2' ' A' ' 82' ' ' PRO . . . 80.47 41.69 11.13 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 80' ' ' LEU . . . -139.44 -68.79 0.04 OUTLIER Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.3 ptt180 -161.16 162.41 31.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 0.778 . . . . 0.0 110.314 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.512 ' CD1' ' HA ' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -160.15 170.25 21.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.275 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.439 ' HA ' ' HA ' ' A' ' 77' ' ' TYR . 15.7 p -118.38 112.52 20.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.388 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.608 HD22 ' CE3' ' A' ' 78' ' ' TRP . 3.2 mm? -63.94 -27.3 69.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.55 -53.23 57.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -70.66 -35.04 72.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.276 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.1 mp -57.68 -49.39 80.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.416 ' ND2' ' HD3' ' A' ' 48' ' ' ARG . 0.8 OUTLIER -69.45 -32.38 71.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -56.1 -51.01 69.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 110.257 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.648 ' CD1' ' C ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -75.7 -28.82 58.77 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 110.961 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.547 ' CD2' ' CD1' ' A' ' 11' ' ' LEU . 2.3 tp -56.95 -48.05 79.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 6.3 mtt -78.2 -28.12 47.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 110.999 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -76.11 -13.76 82.92 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.433 1.083 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.5 mtpt -102.96 -57.6 2.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 0.776 . . . . 0.0 109.299 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -80.11 113.67 40.45 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 111.031 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -39.5 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.495 1.787 . . . . 0.0 110.98 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -59.1 -32.29 69.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.98 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.756 ' CD2' ' CZ2' ' A' ' 47' ' ' TRP . 0.1 OUTLIER -76.29 -28.0 56.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.969 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.64 3.13 38.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.375 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -144.15 54.11 0.58 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.477 1.111 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 73.7 m -150.3 -72.97 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 0.73 . . . . 0.0 109.986 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.552 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 1.9 p90 -174.81 117.65 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 111.034 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.8 t -87.5 52.27 2.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.398 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -126.03 27.03 5.2 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.485 1.115 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.756 ' CZ2' ' CD2' ' A' ' 40' ' ' PHE . 3.4 p-90 -106.66 0.04 24.04 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.416 ' HD3' ' ND2' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -52.22 -30.68 28.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.451 ' H ' ' ND2' ' A' ' 49' ' ' ASN . 1.7 p30 -75.3 -53.68 8.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.52 -40.74 97.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.017 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.566 HG21 ' CE3' ' A' ' 47' ' ' TRP . 2.1 t -60.21 -56.54 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.469 ' HG2' ' CH2' ' A' ' 78' ' ' TRP . 54.3 mtt180 -58.8 -40.37 83.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 110.269 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 17.6 t60 -57.69 -57.42 12.83 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.123 . . . . 0.0 109.576 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.461 ' O ' ' N ' ' A' ' 58' ' ' ASN . 0.7 OUTLIER -62.03 -34.23 75.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.614 ' CD2' ' CZ3' ' A' ' 78' ' ' TRP . 0.4 OUTLIER -52.7 -49.26 65.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.577 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.2 OUTLIER -80.29 -30.07 38.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.991 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.4 mp -80.46 1.38 29.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 54' ' ' ASN . 4.7 m-20 -98.39 -89.84 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.56 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 0.2 OUTLIER -56.65 -47.79 78.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.548 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 3.6 t 91.4 63.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 108.269 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.577 ' CE1' ' HA ' ' A' ' 56' ' ' SER . 0.2 OUTLIER -119.73 -165.33 1.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 111.033 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 94.7 t -116.36 153.59 17.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.343 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.589 ' HB2' ' CD1' ' A' ' 78' ' ' TRP . 0.0 OUTLIER -118.28 150.51 39.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.297 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 25.6 t -119.77 92.51 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.417 ' O ' ' NH2' ' A' ' 70' ' ' ARG . 3.6 pp -130.98 32.73 4.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -149.25 84.0 1.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.284 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -167.61 145.08 3.77 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 76.08 3.5 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.482 1.78 . . . . 0.0 110.99 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.4 m 177.5 41.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.975 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.417 ' NH2' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -171.57 68.52 0.46 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 110.321 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.499 ' O ' ' HB2' ' A' ' 72' ' ' TRP . 18.3 Cg_endo -74.99 -173.48 1.58 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.462 1.77 . . . . 0.0 111.012 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.499 ' HB2' ' O ' ' A' ' 71' ' ' PRO . 0.0 OUTLIER 80.63 -38.58 0.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 108.035 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.466 ' H ' ' C ' ' A' ' 71' ' ' PRO . . . 69.43 70.04 1.25 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.9 tmmt? -173.24 -40.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 0.775 . . . . 0.0 109.327 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -90.07 114.39 26.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 -158.27 174.59 14.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.439 ' HA ' ' HA ' ' A' ' 25' ' ' THR . 13.4 p90 -143.79 157.69 44.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.943 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.614 ' CZ3' ' CD2' ' A' ' 55' ' ' LEU . 31.0 m0 -114.75 162.37 16.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 108.006 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -119.53 111.79 18.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 110.978 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.492 ' CB ' ' HB3' ' A' ' 61' ' ' PHE . 0.6 OUTLIER -118.83 156.56 29.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -167.49 75.97 0.97 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.568 1.167 . . . . 0.0 109.284 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.427 ' HD2' ' CA ' ' A' ' 21' ' ' GLY . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.142 0 O-C-N 124.498 1.788 . . . . 0.0 111.018 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.506 ' CG ' HD23 ' A' ' 11' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.508 0.194 . . . . 0.0 111.015 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 24.7 pt -61.44 -36.82 75.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.25 -52.87 23.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.543 ' CD1' ' CD2' ' A' ' 33' ' ' LEU . 0.3 OUTLIER -49.96 -38.57 37.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.258 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.424 ' CD1' HD12 ' A' ' 55' ' ' LEU . 5.6 mm -68.35 -46.34 80.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.266 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 54.1 m -54.7 -49.4 70.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.433 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.1 ptt? -70.98 -25.69 62.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 110.955 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.439 ' O ' ' CG1' ' A' ' 29' ' ' ILE . . . -71.92 -42.16 67.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.554 HD13 ' CZ ' ' A' ' 61' ' ' PHE . 8.2 mm -80.2 -22.58 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.9 ttp180 -59.41 -12.32 5.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -77.4 0.23 23.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.538 ' CB ' ' HB3' ' A' ' 24' ' ' LEU . 0.9 OUTLIER -96.1 -47.98 5.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.093 . . . . 0.0 109.949 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.476 ' CB ' ' O ' ' A' ' 19' ' ' SER . . . 82.19 43.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.344 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 54.38 52.08 47.02 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.516 1.135 . . . . 0.0 111.041 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -154.33 -79.06 0.02 OUTLIER Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -163.96 154.56 15.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 0.778 . . . . 0.0 110.267 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.538 ' HB3' ' CB ' ' A' ' 19' ' ' SER . 0.2 OUTLIER -161.7 170.59 19.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.26 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.417 HG23 ' CE1' ' A' ' 77' ' ' TYR . 3.2 p -104.04 105.45 15.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.098 . . . . 0.0 110.358 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.594 HD23 ' CE3' ' A' ' 78' ' ' TRP . 0.6 OUTLIER -52.69 -31.49 37.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.464 ' CB ' ' HB3' ' A' ' 75' ' ' ASP . . . -56.4 -49.13 75.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.36 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -67.07 -29.17 68.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.439 ' CG1' ' O ' ' A' ' 15' ' ' ALA . 1.1 mp -59.62 -54.63 31.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 31.0 m-20 -68.15 -30.4 69.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -56.82 -49.99 73.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.655 ' CD1' ' C ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -78.91 -26.93 43.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.574 HD13 ' CE1' ' A' ' 32' ' ' TYR . 2.0 tp -60.7 -47.96 83.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.6 ptt? -74.08 -32.15 63.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -76.46 -8.42 85.82 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.51 1.131 . . . . 0.0 111.036 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.6 mttp -106.98 -54.64 2.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 0.778 . . . . 0.0 109.295 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -75.87 113.6 28.81 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 0.0 111.022 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -39.28 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -65.68 -22.19 66.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.975 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.503 ' CD2' ' CZ2' ' A' ' 47' ' ' TRP . 2.1 m-30 -75.78 -49.61 17.63 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -71.57 -6.16 38.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -102.3 -47.48 1.43 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.572 1.17 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.5 m -69.9 -76.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 0.747 . . . . 0.0 110.005 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.495 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 15.2 p90 -169.17 126.26 0.94 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.569 HG22 ' CH2' ' A' ' 47' ' ' TRP . 48.8 m -94.02 48.67 1.27 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 110.389 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -125.0 47.62 1.01 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.519 1.137 . . . . 0.0 111.026 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.569 ' CH2' HG22 ' A' ' 45' ' ' THR . 0.0 OUTLIER -116.81 14.29 15.2 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.09 -31.33 69.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 110.3 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -71.95 -55.42 7.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 33.9 m -65.46 -33.18 75.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.017 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.413 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 3.0 t -61.92 -57.78 10.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.426 1.079 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.423 ' HG3' ' N ' ' A' ' 53' ' ' HIS . 0.5 OUTLIER -61.33 -29.57 69.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.318 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.423 ' N ' ' HG3' ' A' ' 52' ' ' ARG . 1.5 t-160 -59.65 -55.97 27.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.62 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 58' ' ' ASN . 6.0 t-20 -73.61 -28.97 62.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.594 HD21 ' CZ3' ' A' ' 78' ' ' TRP . 0.5 OUTLIER -56.35 -52.66 63.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.422 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 1.2 t -74.45 -32.24 62.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.999 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.428 ' N ' HD13 ' A' ' 57' ' ' LEU . 10.9 mp -80.72 1.3 30.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 54' ' ' ASN . 14.3 t30 -93.06 -80.97 0.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.591 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 0.4 OUTLIER -79.52 -50.85 10.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.591 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 3.3 t 95.77 78.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 108.264 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.554 ' CZ ' HD13 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -123.96 -166.52 1.5 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 12.9 p -119.21 155.91 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.471 ' HB2' ' CD2' ' A' ' 78' ' ' TRP . 1.7 tttt -119.42 146.09 45.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.453 HG13 ' O ' ' A' ' 77' ' ' TYR . 0.1 OUTLIER -125.25 109.12 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' A' ' 76' ' ' ASN . 31.2 tp -109.25 33.23 4.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.8 ttt-85 -154.97 75.8 0.97 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.286 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -135.55 132.76 19.88 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 71.58 4.95 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.429 1.752 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.9 t -167.25 41.81 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 110.044 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.466 ' CZ ' ' HB2' ' A' ' 70' ' ' ARG . 0.7 OUTLIER -165.32 67.31 1.2 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.28 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 85.6 1.51 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.495 1.787 . . . . 0.0 111.011 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 1.6 t-105 -178.52 -40.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 107.969 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 70.8 89.28 0.1 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.545 1.153 . . . . 0.0 110.962 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.3 ttmt -173.34 -40.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 0.788 . . . . 0.0 109.321 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.464 ' HB3' ' CB ' ' A' ' 27' ' ' ALA . 0.1 OUTLIER -102.02 165.71 11.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.524 ' OD1' ' CD1' ' A' ' 78' ' ' TRP . 20.2 p30 -141.92 169.97 16.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.453 ' O ' HG13 ' A' ' 64' ' ' VAL . 1.2 m-85 -121.06 146.13 47.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 111.017 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.594 ' CE3' HD23 ' A' ' 26' ' ' LEU . 11.4 m0 -122.2 159.45 27.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 108.056 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.61 108.15 7.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.507 ' CB ' ' HB3' ' A' ' 61' ' ' PHE . 0.7 OUTLIER -118.93 150.22 40.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 109.284 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -160.51 138.12 7.02 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.178 0 O-C-N 124.496 1.787 . . . . 0.0 110.967 -179.975 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.518 0.199 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -60.77 -35.26 63.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.57 -39.74 84.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.283 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.465 HD13 ' CE1' ' A' ' 37' ' ' PHE . 6.9 tp -60.03 -48.94 79.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.494 ' O ' ' CG2' ' A' ' 16' ' ' ILE . 1.0 OUTLIER -66.9 -39.09 82.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.432 ' O ' ' CB ' ' A' ' 17' ' ' ARG . 21.4 m -57.7 -49.36 76.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.391 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.433 ' CE ' HD12 ' A' ' 11' ' ' LEU . 3.8 ptt? -70.05 -28.43 65.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.522 ' CB ' ' OH ' ' A' ' 32' ' ' TYR . . . -69.47 -59.7 2.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.593 HD13 ' CE2' ' A' ' 61' ' ' PHE . 0.3 OUTLIER -65.59 -29.93 48.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.274 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.436 ' C ' ' N ' ' A' ' 19' ' ' SER . 0.0 OUTLIER -57.05 -14.07 3.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.252 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -47.74 -22.96 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.487 ' OG ' ' N ' ' A' ' 20' ' ' ALA . 1.7 p -86.19 -149.71 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.977 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.487 ' N ' ' OG ' ' A' ' 19' ' ' SER . . . -154.45 23.18 0.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.17 41.38 3.04 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.479 1.112 . . . . 0.0 111.043 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -142.39 -76.32 0.04 OUTLIER Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.436 ' CB ' ' HA ' ' A' ' 79' ' ' MET . 0.0 OUTLIER -164.97 163.41 20.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 0.76 . . . . 0.0 110.276 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.593 ' CD1' ' N ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -161.63 164.11 29.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.6 p -94.6 123.85 38.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.45 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.582 ' HG ' ' CZ2' ' A' ' 78' ' ' TRP . 0.3 OUTLIER -76.74 -24.85 53.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.438 ' CB ' ' HB3' ' A' ' 75' ' ' ASP . . . -58.63 -47.97 82.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -72.15 -42.43 65.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.505 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 0.7 OUTLIER -53.09 -50.61 44.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.295 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 30.3 m120 -72.03 -30.67 65.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -56.39 -48.51 76.74 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.461 1.101 . . . . 0.0 110.268 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.638 ' CD1' ' C ' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -79.67 -30.01 41.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.573 HD13 ' CE1' ' A' ' 32' ' ' TYR . 1.8 tp -54.42 -48.38 71.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.3 ttp -75.93 -31.13 58.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 111.037 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.67 -13.03 78.23 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.528 1.142 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.75 -51.09 3.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.525 0.78 . . . . 0.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.465 ' CE1' HD13 ' A' ' 11' ' ' LEU . 6.0 m-85 -80.85 113.72 42.63 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.945 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -39.97 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.497 1.788 . . . . 0.0 111.029 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -60.8 -31.88 71.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 110.991 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.56 ' CD2' ' CZ2' ' A' ' 47' ' ' TRP . 2.5 m-85 -69.63 -40.29 76.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.986 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -81.05 -11.21 59.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 0.0 110.272 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -100.86 -47.29 1.63 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.438 1.086 . . . . 0.0 111.012 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 52.5 m -69.48 -74.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 0.733 . . . . 0.0 109.993 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.424 ' O ' ' CG ' ' A' ' 44' ' ' TYR . 1.5 p90 -174.67 132.81 0.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 111.015 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 10.2 m -98.66 47.87 0.98 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.362 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -123.82 57.02 0.67 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.487 1.117 . . . . 0.0 111.02 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.56 ' CZ2' ' CD2' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -126.91 12.36 7.25 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.058 -1.089 . . . . 0.0 108.058 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.0 mtm180 -61.16 -23.73 65.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.294 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -74.93 -52.69 10.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.279 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.68 -38.4 73.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.025 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.448 HG11 ' CD1' ' A' ' 12' ' ' ILE . 4.8 t -62.3 -57.21 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.581 ' HG3' ' CH2' ' A' ' 78' ' ' TRP . 41.7 ttt180 -54.89 -44.64 74.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.347 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.44 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 4.0 t-160 -56.39 -57.79 10.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.1 . . . . 0.0 109.615 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.37 -26.98 68.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.483 ' CD2' HD13 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -58.88 -52.67 64.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 t -81.8 -23.79 36.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.978 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.44 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 0.5 OUTLIER -78.99 1.06 25.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -119.46 -51.81 2.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.579 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . 1.0 OUTLIER -80.91 -58.68 2.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.527 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.8 OUTLIER 90.4 69.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 108.326 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.593 ' CE2' HD13 ' A' ' 16' ' ' ILE . 5.6 p90 -133.73 -163.36 1.35 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 110.999 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 49.0 t -119.69 156.87 22.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.612 ' HB2' ' CD1' ' A' ' 78' ' ' TRP . 0.0 OUTLIER -119.01 151.11 38.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.509 ' CG2' ' O ' ' A' ' 77' ' ' TYR . 19.2 m -130.03 65.86 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.97 153.0 36.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.138 . . . . 0.0 109.344 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 40.74 71.14 0.21 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.296 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.466 ' OD1' ' N ' ' A' ' 68' ' ' PRO . 2.8 t0 -119.53 145.18 38.36 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.466 ' N ' ' OD1' ' A' ' 67' ' ' ASP . 18.3 Cg_endo -74.99 65.78 6.04 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.491 1.785 . . . . 0.0 110.985 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.444 ' CB ' ' OH ' ' A' ' 77' ' ' TYR . 0.2 OUTLIER -127.73 -43.98 1.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.969 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.437 ' N ' ' HD3' ' A' ' 71' ' ' PRO . 7.7 mtt180 -133.95 62.63 58.6 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 110.344 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.437 ' HD3' ' N ' ' A' ' 70' ' ' ARG . 18.3 Cg_endo -74.98 56.98 4.41 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.474 1.776 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 51.9 m95 -114.25 -41.7 3.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 107.993 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -116.06 -141.36 7.21 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.529 1.143 . . . . 0.0 110.997 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.2 19.72 2.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 0.781 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.438 ' HB3' ' CB ' ' A' ' 27' ' ' ALA . 68.3 m-20 -89.12 178.59 6.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -159.78 169.29 23.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.265 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.553 ' CD1' ' N ' ' A' ' 77' ' ' TYR . 1.6 p90 -139.5 162.36 35.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 111.044 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.612 ' CD1' ' HB2' ' A' ' 63' ' ' LYS . 16.9 m0 -118.33 161.22 20.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 107.998 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.436 ' HA ' ' CB ' ' A' ' 23' ' ' ARG . 2.2 ptm -119.29 113.6 21.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.516 ' CD1' HG12 ' A' ' 16' ' ' ILE . 2.5 pt? -121.05 141.04 51.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 23.1 p-10 -146.41 144.28 20.7 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.168 0 O-C-N 124.504 1.792 . . . . 0.0 111.005 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 N--CA 1.452 -0.355 0 CA-C-O 120.523 0.202 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.417 HG13 ' N ' ' A' ' 10' ' ' ALA . 46.0 pt -65.07 -42.86 95.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.417 ' N ' HG13 ' A' ' 9' ' ' ILE . . . -59.7 -49.52 77.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.562 HD12 ' CZ ' ' A' ' 37' ' ' PHE . 0.5 OUTLIER -56.24 -44.1 79.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.253 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.482 ' CG2' HD21 ' A' ' 55' ' ' LEU . 1.1 mp -63.13 -40.81 90.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.417 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 4.4 m -57.45 -55.81 30.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.404 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.415 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 3.1 ptt? -62.67 -26.27 68.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.506 ' O ' ' CG1' ' A' ' 29' ' ' ILE . . . -73.25 -48.98 30.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.356 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.591 ' CD1' ' CD2' ' A' ' 80' ' ' LEU . 0.4 OUTLIER -74.34 -19.04 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.417 ' HB2' ' O ' ' A' ' 13' ' ' THR . 2.2 mtt180 -72.42 -2.51 19.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 110.324 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -65.03 -11.33 37.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.405 ' OG ' ' N ' ' A' ' 20' ' ' ALA . 9.1 p -95.04 -146.12 0.27 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.029 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.405 ' N ' ' OG ' ' A' ' 19' ' ' SER . . . -155.96 25.6 0.37 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 80' ' ' LEU . . . 82.28 39.99 10.63 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.564 1.165 . . . . 0.0 111.032 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 80' ' ' LEU . . . -138.02 -68.98 0.05 OUTLIER Glycine 0 CA--C 1.531 1.048 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.0 ptt180 -161.43 150.89 16.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 0.787 . . . . 0.0 110.325 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.519 ' C ' ' CD2' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -161.06 153.89 20.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.351 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -99.94 116.16 31.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.44 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.578 HD21 ' CE3' ' A' ' 78' ' ' TRP . 1.3 mm? -63.67 -25.94 68.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.54 -48.95 73.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -67.66 -34.9 77.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.506 ' CG1' ' O ' ' A' ' 15' ' ' ALA . 1.2 mp -60.05 -57.32 12.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -62.99 -29.63 70.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -58.21 -51.61 69.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 110.325 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.613 ' CD1' ' C ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -79.15 -25.31 42.87 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.107 . . . . 0.0 110.995 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.542 HD11 ' CZ ' ' A' ' 32' ' ' TYR . 2.6 tp -58.88 -49.42 77.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 0.0 109.307 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 5.9 mtp -79.05 -19.78 50.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 111.019 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -80.14 -38.75 17.77 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.516 1.135 . . . . 0.0 110.936 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -82.36 -37.05 26.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 0.766 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.562 ' CZ ' HD12 ' A' ' 11' ' ' LEU . 5.8 m-85 -108.87 107.26 59.91 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -29.64 8.03 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.507 1.793 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -54.4 -39.55 67.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 111.044 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -77.19 -36.07 55.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 110.982 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -80.98 4.67 18.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -118.27 -40.42 0.68 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.589 1.181 . . . . 0.0 110.963 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.9 m -69.81 -75.73 0.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 0.756 . . . . 0.0 110.005 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.557 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 1.8 p90 -170.1 123.37 0.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 111.012 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 71.7 p -91.23 33.14 0.98 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 110.366 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -100.37 42.43 1.96 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.469 1.106 . . . . 0.0 110.955 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.406 ' CD1' ' O ' ' A' ' 44' ' ' TYR . 2.3 p-90 -124.16 3.72 8.57 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 15.1 ttm180 -50.17 -36.44 30.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.421 ' H ' ' ND2' ' A' ' 49' ' ' ASN . 2.9 p30 -80.14 -51.0 9.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 82.3 p -53.89 -44.8 70.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.989 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.474 HG22 ' CD1' ' A' ' 12' ' ' ILE . 0.9 OUTLIER -68.94 -55.29 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.527 ' HG3' ' CZ2' ' A' ' 78' ' ' TRP . 10.3 ttm105 -48.03 -29.79 3.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.314 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -76.09 -52.65 9.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.616 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.416 ' O ' ' HB2' ' A' ' 58' ' ' ASN . 0.7 OUTLIER -66.3 -17.63 64.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.123 . . . . 0.0 109.264 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.488 HD11 ' CZ3' ' A' ' 78' ' ' TRP . 0.0 OUTLIER -80.17 -48.63 12.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.432 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -64.99 -42.47 94.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.996 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.489 ' O ' ' CD1' ' A' ' 57' ' ' LEU . 0.4 OUTLIER -80.78 1.44 30.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.416 ' HB2' ' O ' ' A' ' 54' ' ' ASN . 0.5 OUTLIER -80.62 -72.55 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.506 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 1.6 m-20 -80.89 -36.63 30.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.5 OUTLIER 88.2 57.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 108.325 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.597 ' CE1' ' CE3' ' A' ' 78' ' ' TRP . 1.0 OUTLIER -119.23 -167.71 1.45 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.5 ' CG1' ' SD ' ' A' ' 79' ' ' MET . 5.3 p -119.17 146.21 24.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.414 ' HA ' ' HA ' ' A' ' 78' ' ' TRP . 0.0 OUTLIER -118.96 163.06 17.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.337 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.452 ' CG2' ' HD3' ' A' ' 68' ' ' PRO . 0.1 OUTLIER -139.56 94.63 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -87.55 116.39 25.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.335 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 61.18 107.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.31 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.524 ' CB ' ' HD3' ' A' ' 68' ' ' PRO . 0.1 OUTLIER 172.64 -54.05 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.524 ' HD3' ' CB ' ' A' ' 67' ' ' ASP . 18.2 Cg_endo -74.98 -45.43 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.476 1.777 . . . . 0.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.16 -18.16 14.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.03 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.486 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 3.7 mmm180 38.46 62.1 4.5 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.295 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.449 ' HD3' ' N ' ' A' ' 70' ' ' ARG . 18.4 Cg_endo -75.04 -166.51 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.478 1.778 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 44.8 p90 -94.72 26.05 3.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 107.977 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.74 86.23 0.51 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.508 1.13 . . . . 0.0 110.953 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -166.45 -42.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 0.766 . . . . 0.0 109.304 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -122.49 147.62 46.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -138.73 175.57 9.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.341 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -122.51 142.2 50.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.969 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.597 ' CE3' ' CE1' ' A' ' 61' ' ' PHE . 12.0 m0 -118.46 140.42 49.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.128 . . . . 0.0 107.97 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.5 ' SD ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -119.22 102.84 9.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.976 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.591 ' HB3' ' CD2' ' A' ' 61' ' ' PHE . 1.0 OUTLIER -121.15 137.29 54.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.346 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 38.7 p-10 -142.22 157.95 62.26 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.133 0 O-C-N 124.479 1.779 . . . . 0.0 111.012 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.483 0.182 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.0 pt -56.9 -30.99 34.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.26 -51.55 43.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.102 . . . . 0.0 109.276 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.451 ' O ' ' CG ' ' A' ' 14' ' ' MET . 0.2 OUTLIER -54.03 -48.99 69.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.411 ' CG1' HD13 ' A' ' 55' ' ' LEU . 1.0 OUTLIER -62.58 -43.88 98.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.5 m -53.48 -47.68 69.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.346 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.531 ' HE1' ' CE1' ' A' ' 37' ' ' PHE . 5.3 ptt? -76.12 -18.23 59.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 111.047 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.45 ' O ' ' CG1' ' A' ' 29' ' ' ILE . . . -76.34 -49.04 17.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.454 ' HA ' ' CD1' ' A' ' 24' ' ' LEU . 15.2 mm -73.58 -31.95 34.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.59 -15.88 8.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 110.282 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.407 ' CB ' HD11 ' A' ' 29' ' ' ILE . 32.7 t70 -58.15 -26.23 62.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.437 ' OG ' ' CB ' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -83.8 -149.63 0.1 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 109.967 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -166.25 30.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 85.58 43.24 6.57 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -142.44 -72.97 0.03 OUTLIER Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.481 ' HA ' ' HA ' ' A' ' 79' ' ' MET . 3.8 ppt_? -161.56 159.32 27.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 0.763 . . . . 0.0 110.302 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.496 ' HG ' ' N ' ' A' ' 25' ' ' THR . 0.0 OUTLIER -151.62 158.35 43.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.496 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 80.7 p -108.19 110.16 21.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.375 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.573 ' CD2' ' CD2' ' A' ' 78' ' ' TRP . 3.6 mm? -59.47 -32.46 70.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.46 ' CB ' ' HB3' ' A' ' 74' ' ' LYS . . . -59.05 -52.75 64.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.25 -45.68 87.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.46 ' CD1' HD13 ' A' ' 24' ' ' LEU . 0.6 OUTLIER -55.54 -30.58 26.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -72.22 -54.43 9.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -61.1 -25.39 66.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -80.69 -49.83 10.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.509 ' C ' ' CD1' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -59.58 -39.03 82.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.461 ' N ' ' CD1' ' A' ' 33' ' ' LEU . 13.9 mtt -65.33 -49.2 70.32 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.529 1.143 . . . . 0.0 111.018 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.2 -8.41 50.07 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.528 1.142 . . . . 0.0 111.012 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.64 -23.71 12.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 0.767 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.531 ' CE1' ' HE1' ' A' ' 14' ' ' MET . 8.3 m-85 -125.04 96.74 39.31 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 110.998 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -32.99 5.01 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.497 1.788 . . . . 0.0 111.037 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -62.69 -33.3 74.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.738 ' CE2' ' CD2' ' A' ' 47' ' ' TRP . 1.0 OUTLIER -75.01 -26.82 59.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 111.004 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 39.6 ttt-85 -88.47 17.35 5.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.298 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -143.44 53.94 0.59 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.48 1.113 . . . . 0.0 111.041 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.6 m -155.41 -71.47 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 0.767 . . . . 0.0 110.014 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.566 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 5.1 p90 -163.99 105.99 0.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 58.6 p -74.38 57.61 0.71 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.338 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -138.58 25.95 2.81 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.5 1.125 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.738 ' CD2' ' CE2' ' A' ' 40' ' ' PHE . 0.9 OUTLIER -100.28 -4.31 29.58 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.45 ' HG3' ' CZ3' ' A' ' 47' ' ' TRP . 11.1 mtp180 -60.08 -29.94 68.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 110.31 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -74.42 -54.86 6.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 19.7 m -63.95 -36.3 83.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.009 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.7 t -64.67 -56.85 13.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.569 ' HG2' ' CH2' ' A' ' 78' ' ' TRP . 41.8 mtm180 -55.3 -44.7 76.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.117 . . . . 0.0 110.346 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.21 -55.49 30.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.592 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -65.73 -22.46 66.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.616 HD22 ' CZ3' ' A' ' 78' ' ' TRP . 0.6 OUTLIER -61.9 -50.91 70.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.596 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -81.23 -26.72 35.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.008 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -80.81 1.07 32.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 20.9 t30 -106.82 -74.16 0.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.554 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 0.3 OUTLIER -66.47 -53.5 34.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.26 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.543 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 1.2 t 91.3 65.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 108.27 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.596 ' CE1' ' HA ' ' A' ' 56' ' ' SER . 0.2 OUTLIER -119.12 -166.19 1.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.982 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -117.02 165.06 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.526 ' HE2' ' CE2' ' A' ' 78' ' ' TRP . 26.4 ttmt -119.33 150.66 39.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.424 ' N ' ' HG2' ' A' ' 63' ' ' LYS . 44.2 t -124.32 82.15 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.2 tp -82.13 -53.02 6.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.444 ' CZ ' ' HB3' ' A' ' 66' ' ' ARG . 1.5 mtp-105 -98.65 106.98 19.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.269 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 177.49 108.15 0.13 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 63.99 6.03 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.448 1.762 . . . . 0.0 110.993 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.9 m -107.45 -42.4 4.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 110.055 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.423 ' N ' ' HD3' ' A' ' 71' ' ' PRO . 0.7 OUTLIER -136.18 63.43 49.87 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.321 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.423 ' HD3' ' N ' ' A' ' 70' ' ' ARG . 18.5 Cg_endo -75.0 55.26 3.9 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.55 1.816 . . . . 0.0 110.996 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 6.9 p-90 -178.36 38.73 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.529 1.143 . . . . 0.0 107.981 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -95.38 -70.27 1.07 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.116 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.46 ' HB3' ' CB ' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -173.39 -46.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 0.767 . . . . 0.0 109.256 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -161.78 -66.52 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 -162.46 149.33 13.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.509 ' C ' ' HD1' ' A' ' 78' ' ' TRP . 5.4 p90 -120.65 156.57 31.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 111.053 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.616 ' CZ3' HD22 ' A' ' 55' ' ' LEU . 13.6 m0 -113.12 157.78 21.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.14 . . . . 0.0 107.991 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.481 ' HA ' ' HA ' ' A' ' 23' ' ' ARG . 2.9 mtp -119.36 110.62 17.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 111.052 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.551 ' HB3' ' CD2' ' A' ' 61' ' ' PHE . 0.6 OUTLIER -118.92 141.41 48.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 -145.43 157.91 51.69 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.202 0 O-C-N 124.466 1.772 . . . . 0.0 111.0 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.479 0.18 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.4 pp -54.61 -37.74 40.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.89 -42.37 94.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.465 ' CD1' ' C ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -57.07 -51.25 70.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.477 ' CD1' HD12 ' A' ' 55' ' ' LEU . 9.2 mm -56.02 -49.72 73.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.353 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.433 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 19.2 m -48.69 -53.22 19.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 110.433 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.46 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 8.2 ptt? -72.14 -13.57 61.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 111.024 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 11' ' ' LEU . . . -79.62 -45.61 18.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.494 HD13 ' CD2' ' A' ' 55' ' ' LEU . 9.6 mm -80.59 -20.86 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.433 ' HB2' ' O ' ' A' ' 13' ' ' THR . 0.1 OUTLIER -64.01 -10.03 19.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 110.302 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.483 ' CB ' HD11 ' A' ' 29' ' ' ILE . 6.7 t70 -63.19 -33.17 74.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.406 ' OG ' ' N ' ' A' ' 20' ' ' ALA . 10.5 p -84.3 -144.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.128 . . . . 0.0 109.971 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.406 ' N ' ' OG ' ' A' ' 19' ' ' SER . . . -167.86 31.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 84.96 43.23 6.81 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.496 1.122 . . . . 0.0 110.969 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 80' ' ' LEU . . . -143.89 -70.37 0.02 OUTLIER Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.592 ' NH2' ' CE2' ' A' ' 72' ' ' TRP . 5.8 ptt85 -161.32 159.64 28.73 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.511 0.771 . . . . 0.0 110.258 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.484 ' CD1' ' HA ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -158.0 162.89 38.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.464 ' HA ' ' HA ' ' A' ' 77' ' ' TYR . 65.3 p -109.68 120.19 41.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 110.414 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.606 HD21 ' CE3' ' A' ' 78' ' ' TRP . 3.0 mm? -71.97 -25.38 61.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.41 ' HB3' ' CB ' ' A' ' 75' ' ' ASP . . . -64.61 -57.93 7.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.57 -39.17 92.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 110.311 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.483 HD11 ' CB ' ' A' ' 18' ' ' ASP . 1.2 mp -59.23 -57.14 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 60.2 m-20 -49.68 -43.01 46.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -70.3 -24.02 62.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.309 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.407 ' N ' ' O ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -80.97 -37.76 28.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.984 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.702 ' CD2' ' CD2' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -69.1 -43.82 73.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.548 ' N ' ' CD1' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -62.41 -44.06 97.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.998 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.64 -5.13 67.69 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -106.01 -36.64 6.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 0.784 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.702 ' CD2' ' CD2' ' A' ' 33' ' ' LEU . 9.9 m-30 -103.51 106.74 53.39 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -19.34 17.82 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.476 1.777 . . . . 0.0 110.951 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -78.07 -28.26 48.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.768 ' CD2' ' CZ2' ' A' ' 47' ' ' TRP . 0.0 OUTLIER -78.74 -33.8 46.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.46 11.59 12.18 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.475 1.109 . . . . 0.0 110.264 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -128.14 24.74 5.01 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.48 1.112 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 69.8 m -138.25 -76.81 0.38 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 0.791 . . . . 0.0 110.011 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.554 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 1.9 p90 -168.33 118.51 0.77 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.6 t -85.75 60.55 6.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.14 . . . . 0.0 110.374 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -137.36 41.73 1.37 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.768 ' CZ2' ' CD2' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -115.48 13.95 16.56 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 15.5 ttt-85 -61.22 -25.75 67.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 31.5 t-20 -73.5 -53.37 10.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.413 1.071 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.4 -26.93 62.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.995 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.5 t -73.13 -59.49 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.282 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.419 ' HG3' ' N ' ' A' ' 53' ' ' HIS . 0.8 OUTLIER -57.9 -33.73 69.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 110.339 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.423 ' CE1' HD13 ' A' ' 57' ' ' LEU . 65.8 t-80 -64.41 -55.62 19.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.602 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.455 ' O ' ' N ' ' A' ' 58' ' ' ASN . 1.2 t30 -64.34 -31.29 72.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.656 ' CD2' ' CZ3' ' A' ' 78' ' ' TRP . 0.4 OUTLIER -57.2 -48.68 78.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.596 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 1.6 t -77.55 -33.44 54.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.027 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.423 HD13 ' CE1' ' A' ' 53' ' ' HIS . 2.6 mp -80.85 0.97 32.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 54' ' ' ASN . 2.5 m-20 -96.46 -92.26 0.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.563 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 0.4 OUTLIER -53.67 -46.33 70.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.5 OUTLIER 88.82 62.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 108.301 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.596 ' CE1' ' HA ' ' A' ' 56' ' ' SER . 0.2 OUTLIER -119.22 -164.74 1.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 111.009 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 76.1 t -115.86 158.33 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.273 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.565 ' HB2' ' CD1' ' A' ' 78' ' ' TRP . 0.0 OUTLIER -119.05 160.39 22.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.413 ' O ' ' C ' ' A' ' 65' ' ' LEU . 99.0 t -118.95 116.2 50.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 64' ' ' VAL . 0.8 OUTLIER -39.46 152.82 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.8 ttt180 -52.22 106.5 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.352 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -105.85 115.09 62.04 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 79.3 2.71 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.488 1.783 . . . . 0.0 110.971 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -172.8 -72.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 110.043 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.447 ' HB2' ' CE1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -38.69 99.14 0.19 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.289 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -10.37 21.18 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.489 1.784 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.592 ' CE2' ' NH2' ' A' ' 23' ' ' ARG . 13.4 m95 -43.88 -52.8 6.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 108.01 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -99.21 -144.39 16.5 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.502 1.126 . . . . 0.0 110.952 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.98 22.6 0.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 0.752 . . . . 0.0 109.285 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.41 ' CB ' ' HB3' ' A' ' 27' ' ' ALA . 8.1 t70 -166.3 -65.2 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 48.2 p-10 -163.82 168.41 19.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.514 ' CD1' ' N ' ' A' ' 77' ' ' TYR . 2.5 p90 -137.0 159.46 41.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 110.995 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.656 ' CZ3' ' CD2' ' A' ' 55' ' ' LEU . 27.3 m0 -114.71 165.46 12.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 107.984 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 11.2 ttm -124.16 109.45 13.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.494 ' CB ' ' HB3' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -118.21 150.74 38.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 109.298 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -166.92 140.82 3.15 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.15 0 O-C-N 124.529 1.805 . . . . 0.0 111.013 -179.974 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.499 0.19 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 13.7 tt -67.94 -47.5 78.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 109.332 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.07 -38.4 88.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.48 ' CD2' HD21 ' A' ' 33' ' ' LEU . 2.6 tp -59.17 -53.35 59.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.494 ' O ' ' CG2' ' A' ' 16' ' ' ILE . 1.1 mp -63.6 -36.15 75.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.3 m -59.15 -50.79 72.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.408 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.462 ' CE ' HD12 ' A' ' 11' ' ' LEU . 6.1 ptt? -69.52 -25.54 64.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.5 ' O ' ' CG1' ' A' ' 29' ' ' ILE . . . -71.9 -58.38 3.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.574 HD13 ' CE2' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -67.9 -25.14 31.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.69 -14.7 6.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.098 . . . . 0.0 110.293 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -53.9 -19.95 5.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.451 ' OG ' ' N ' ' A' ' 20' ' ' ALA . 5.4 p -88.35 -146.12 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.953 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.451 ' N ' ' OG ' ' A' ' 19' ' ' SER . . . -168.84 36.41 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.0 44.84 7.94 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.47 1.106 . . . . 0.0 111.037 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 80' ' ' LEU . . . -147.08 -67.96 0.01 OUTLIER Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.07 144.69 13.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.566 0.803 . . . . 0.0 110.287 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.538 ' O ' ' CD1' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -138.18 148.29 44.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.273 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.6 p -99.32 116.76 32.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.431 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.638 ' HG ' ' CZ2' ' A' ' 78' ' ' TRP . 1.2 mm? -74.22 -22.89 59.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.403 ' CB ' ' HB2' ' A' ' 75' ' ' ASP . . . -61.24 -52.61 64.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.09 -40.18 71.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.512 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 1.2 mp -55.31 -52.34 46.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -70.54 -29.2 65.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -57.67 -49.19 77.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.637 ' CD1' ' C ' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -78.72 -29.43 45.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.598 ' CD1' ' CZ ' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -58.11 -52.19 66.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 10.6 ttt -70.74 -25.76 63.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -78.82 -27.82 55.9 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.48 -29.89 16.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 0.794 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.448 ' CE2' ' CD1' ' A' ' 11' ' ' LEU . 9.7 m-85 -133.3 87.07 39.46 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.973 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -55.16 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.55 1.816 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.431 ' CD1' ' N ' ' A' ' 40' ' ' PHE . 18.5 p90 -59.94 -25.89 65.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.601 ' CE1' ' OH ' ' A' ' 44' ' ' TYR . 1.9 t80 -71.61 -16.07 62.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.967 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.564 ' HD2' ' CE3' ' A' ' 47' ' ' TRP . 3.8 ttt180 -98.84 29.56 3.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.324 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -154.1 60.37 0.39 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.2 m -139.34 -66.4 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 0.0 109.995 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.601 ' OH ' ' CE1' ' A' ' 40' ' ' PHE . 6.1 p90 -116.77 146.19 42.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 42.3 m -82.8 48.68 1.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.415 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -150.59 70.53 0.31 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.564 ' CE3' ' HD2' ' A' ' 41' ' ' ARG . 0.1 OUTLIER -101.69 -82.45 0.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.8 ttm-85 -52.07 -26.34 10.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.312 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -73.53 -52.54 13.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.309 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 52.3 p -71.98 -25.8 62.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.021 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.451 HG13 ' CG1' ' A' ' 12' ' ' ILE . 50.3 t -68.63 -56.68 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.546 ' HG3' ' CH2' ' A' ' 78' ' ' TRP . 1.1 ttt180 -63.82 -33.57 75.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.284 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.489 ' O ' ' CD1' ' A' ' 57' ' ' LEU . 1.6 m-70 -62.06 -57.44 11.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 109.582 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -66.99 -31.95 72.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.347 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.612 ' O ' ' CZ ' ' A' ' 61' ' ' PHE . 4.7 mt -58.74 -55.21 38.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.445 ' O ' ' HA ' ' A' ' 60' ' ' CYS . 0.0 OUTLIER -74.77 -29.49 61.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.008 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.489 ' CD1' ' O ' ' A' ' 53' ' ' HIS . 5.2 mt -80.89 1.03 32.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.409 ' OD1' ' C ' ' A' ' 58' ' ' ASN . 12.8 t-20 -95.42 -88.98 0.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 0.9 OUTLIER -81.08 -38.15 27.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.5 OUTLIER 88.06 84.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 108.317 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.612 ' CZ ' ' O ' ' A' ' 55' ' ' LEU . 0.7 OUTLIER -127.09 -167.19 1.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.992 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.8 p -117.77 162.87 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.567 ' HG3' ' CD1' ' A' ' 78' ' ' TRP . 1.0 OUTLIER -119.05 146.41 45.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.515 ' CG1' ' O ' ' A' ' 77' ' ' TYR . 7.6 p -126.26 62.1 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.424 ' CD2' ' HD3' ' A' ' 63' ' ' LYS . 2.2 pp -66.62 -36.97 83.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.7 ttt85 -93.83 103.56 15.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 110.318 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.99 125.61 3.71 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 109.253 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 62.91 5.93 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.476 1.777 . . . . 0.0 111.016 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.85 69.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.997 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.0 64.46 2.29 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.244 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 56.57 4.29 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.502 1.791 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.435 ' CB ' ' CG ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -115.23 -44.05 3.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 107.974 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 149.17 -66.43 0.38 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.463 1.102 . . . . 0.0 110.948 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.3 ptmm? -151.32 38.22 0.63 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 0.789 . . . . 0.0 109.307 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.435 ' CG ' ' CB ' ' A' ' 72' ' ' TRP . 34.1 p-10 -106.37 139.42 40.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 14.6 p30 -143.99 -173.08 3.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.515 ' O ' ' CG1' ' A' ' 64' ' ' VAL . 4.1 p90 -150.43 165.32 33.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.638 ' CZ2' ' HG ' ' A' ' 26' ' ' LEU . 30.1 m0 -116.83 161.08 19.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 107.998 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.403 ' O ' ' HB2' ' A' ' 61' ' ' PHE . 2.2 ttp -115.95 121.49 42.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 111.055 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.506 ' CD1' ' CG1' ' A' ' 16' ' ' ILE . 1.6 pt? -129.5 135.51 48.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -152.25 107.28 2.79 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.153 0 O-C-N 124.448 1.762 . . . . 0.0 111.009 179.998 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.558 ' CE2' ' OH ' ' A' ' 44' ' ' TYR . 16.2 m-85 . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.526 0.203 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.2 pp -50.47 -27.84 4.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.02 -46.98 40.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.497 ' CD1' ' C ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -54.8 -36.21 64.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.483 ' CG2' ' HG ' ' A' ' 55' ' ' LEU . 1.0 OUTLIER -72.93 -46.22 52.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.345 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.514 ' O ' ' CG ' ' A' ' 17' ' ' ARG . 15.1 m -55.03 -45.61 75.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 110.418 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.42 ' HG3' ' N ' ' A' ' 15' ' ' ALA . 11.3 ptt? -71.12 -34.24 70.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.166 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.466 ' HB3' ' CG2' ' A' ' 29' ' ' ILE . . . -66.09 -62.3 1.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.482 ' HA ' ' CD1' ' A' ' 24' ' ' LEU . 2.7 tp -60.96 -29.43 45.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.273 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.514 ' CG ' ' O ' ' A' ' 13' ' ' THR . 0.0 OUTLIER -55.84 -19.45 11.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.324 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -50.18 -33.48 19.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.247 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 60.1 p -85.14 -143.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.02 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -170.25 33.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.359 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 84.45 44.18 6.64 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.453 1.096 . . . . 0.0 110.981 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 80' ' ' LEU . . . -139.39 -72.84 0.05 OUTLIER Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -162.94 154.41 17.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 0.794 . . . . 0.0 110.294 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.482 ' CD1' ' HA ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -161.27 154.57 21.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 109.331 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.448 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 4.3 p -102.34 97.71 7.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.366 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.577 HD23 ' CE3' ' A' ' 78' ' ' TRP . 0.3 OUTLIER -49.75 -33.37 16.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.48 ' CB ' ' HA ' ' A' ' 75' ' ' ASP . . . -55.57 -50.49 69.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.252 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -64.99 -32.99 74.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 0.0 110.29 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.471 ' CD1' HD11 ' A' ' 24' ' ' LEU . 1.2 mp -67.8 -35.52 72.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -70.95 -39.07 72.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -69.85 -30.1 67.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.329 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.522 ' CG ' ' N ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -80.64 -54.57 5.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 111.012 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.575 HD22 ' CD1' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -53.71 -44.94 70.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.142 . . . . 0.0 109.299 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.561 ' N ' ' CD1' ' A' ' 33' ' ' LEU . 9.3 ttp -69.0 -43.21 75.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -59.76 -27.58 64.36 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.502 1.126 . . . . 0.0 111.0 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.09 -56.5 3.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 0.744 . . . . 0.0 109.328 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.575 ' CD1' HD22 ' A' ' 33' ' ' LEU . 13.5 m-85 -69.76 114.32 23.86 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 111.047 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 -37.73 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.45 1.763 . . . . 0.0 110.978 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -62.9 -30.87 71.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.406 ' HZ ' ' CE1' ' A' ' 8' ' ' TYR . 6.8 m-85 -77.3 -20.69 54.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 111.036 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.2 ttt-85 -90.97 29.19 1.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -121.35 -63.94 0.24 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.473 1.108 . . . . 0.0 111.022 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 45' ' ' THR . 1.3 m -134.65 -64.82 0.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 0.74 . . . . 0.0 109.965 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.558 ' OH ' ' CE2' ' A' ' 8' ' ' TYR . 3.5 t80 -38.38 96.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.428 ' N ' ' O ' ' A' ' 43' ' ' SER . 3.3 m -134.6 -42.81 0.76 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.412 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -74.19 57.07 2.35 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.523 1.14 . . . . 0.0 110.971 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.458 ' CE3' ' CG2' ' A' ' 51' ' ' VAL . 6.0 p-90 -125.67 4.77 7.48 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.507 ' O ' ' CG ' ' A' ' 52' ' ' ARG . 2.4 ttm180 -60.38 -29.8 69.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.277 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.41 ' O ' ' HG3' ' A' ' 52' ' ' ARG . 11.8 m120 -72.71 -49.28 32.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.7 t -69.43 -38.1 77.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.991 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.458 ' CG2' ' CE3' ' A' ' 47' ' ' TRP . 2.9 t -68.88 -61.63 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.507 ' CG ' ' O ' ' A' ' 48' ' ' ARG . 0.3 OUTLIER -52.8 -32.04 41.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.278 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.509 ' O ' ' CB ' ' A' ' 57' ' ' LEU . 2.4 t60 -70.32 -48.36 56.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.609 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -74.31 -9.44 58.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.123 . . . . 0.0 109.277 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.486 ' CD1' ' CD1' ' A' ' 26' ' ' LEU . 0.4 OUTLIER -82.27 -53.83 5.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.583 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -81.37 -13.09 58.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.986 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.509 ' CB ' ' O ' ' A' ' 53' ' ' HIS . 2.1 tp -81.13 -29.98 34.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -89.51 -77.36 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.649 ' HB3' ' CD2' ' A' ' 61' ' ' PHE . 0.6 OUTLIER -44.96 -42.87 8.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.409 ' HA ' ' O ' ' A' ' 56' ' ' SER . 1.6 m 68.48 55.97 0.48 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 108.333 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.649 ' CD2' ' HB3' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -118.75 -165.94 1.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 111.022 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 50.1 t -119.33 158.55 20.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 78' ' ' TRP . 2.8 ptpt -130.55 173.68 10.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -119.72 126.31 75.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.8 tp -85.3 100.4 11.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 42.49 77.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.4 162.67 65.37 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 63.26 5.92 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.477 1.778 . . . . 0.0 110.974 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 66.3 m -132.55 -46.51 0.89 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.12 . . . . 0.0 110.005 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -131.14 67.33 80.54 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.275 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 55.73 4.03 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.453 1.765 . . . . 0.0 111.013 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 14.5 t-105 -114.65 -41.5 3.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 108.006 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 103.53 66.52 0.73 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.555 1.159 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 172.1 47.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 0.759 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.48 ' HA ' ' CB ' ' A' ' 27' ' ' ALA . 0.3 OUTLIER -178.58 145.21 0.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -140.32 146.29 38.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.339 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -119.16 131.95 55.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 111.032 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.577 ' CE3' HD23 ' A' ' 26' ' ' LEU . 15.2 m0 -116.96 141.65 47.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 107.993 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.504 ' O ' ' CE ' ' A' ' 79' ' ' MET . 0.1 OUTLIER -119.01 108.46 14.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.596 ' HB3' ' CD2' ' A' ' 61' ' ' PHE . 0.8 OUTLIER -120.42 154.2 35.48 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.427 ' C ' ' ND2' ' A' ' 81' ' ' ASN . 1.0 OUTLIER -172.68 144.5 1.29 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.414 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.165 0 O-C-N 124.501 1.79 . . . . 0.0 110.951 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.532 0.206 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.3 pt -57.62 -37.54 59.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.27 -56.1 12.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.464 ' CD1' HD23 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -48.19 -38.83 19.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.348 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.475 HD13 ' CD1' ' A' ' 55' ' ' LEU . 16.9 mm -67.8 -47.54 79.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.09 . . . . 0.0 109.327 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.4 m -53.68 -50.69 65.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.357 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.523 ' CE ' ' CE1' ' A' ' 37' ' ' PHE . 2.1 ptt? -74.28 -20.63 60.08 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.451 1.095 . . . . 0.0 111.005 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.406 ' O ' HG12 ' A' ' 29' ' ' ILE . . . -69.34 -53.1 21.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.494 ' CG2' ' CD1' ' A' ' 80' ' ' LEU . 5.7 mm -73.43 -29.46 27.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.157 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.11 -21.68 0.79 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.31 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.403 ' N ' ' C ' ' A' ' 16' ' ' ILE . 10.4 t0 -52.98 -30.5 35.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.1 p -91.87 -146.03 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.001 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -170.08 32.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 80' ' ' LEU . . . 85.47 43.16 6.64 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.568 1.167 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 80' ' ' LEU . . . -140.56 -69.39 0.04 OUTLIER Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.39 159.92 28.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 0.756 . . . . 0.0 110.335 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.507 ' CD1' HG12 ' A' ' 29' ' ' ILE . 0.1 OUTLIER -155.32 157.87 37.85 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -110.9 98.3 7.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 110.426 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.591 HD23 ' CE3' ' A' ' 78' ' ' TRP . 3.2 mm? -51.54 -30.8 21.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.39 -53.35 53.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -73.27 -38.49 65.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.282 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.507 HG12 ' CD1' ' A' ' 24' ' ' LEU . 1.1 mp -60.49 -39.23 80.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 58.0 m-20 -73.68 -36.65 65.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.142 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -57.88 -42.49 84.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.347 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.715 ' CD1' ' C ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -81.05 -41.77 22.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.959 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.483 ' N ' ' CG ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -49.01 -42.7 39.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.574 1.171 . . . . 0.0 109.307 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.403 ' N ' ' CD1' ' A' ' 33' ' ' LEU . 19.4 ttp -77.32 -46.1 24.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -59.47 -18.57 44.43 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.522 1.139 . . . . 0.0 110.958 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.58 -28.27 13.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 0.764 . . . . 0.0 109.332 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.523 ' CE1' ' CE ' ' A' ' 14' ' ' MET . 3.7 m-85 -105.67 107.95 60.46 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -37.65 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.55 1.816 . . . . 0.0 111.033 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -57.2 -35.16 69.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 110.954 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.755 ' CE2' ' CE2' ' A' ' 47' ' ' TRP . 0.0 OUTLIER -80.42 -23.72 40.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 -89.18 8.39 30.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -139.76 51.45 0.74 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.53 1.144 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 54.8 m -156.45 -82.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 0.734 . . . . 0.0 109.967 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.552 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 2.2 p90 -159.19 119.97 3.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 111.035 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.7 m -86.37 57.91 4.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 110.409 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -137.36 50.12 0.83 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.496 1.122 . . . . 0.0 110.959 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.755 ' CE2' ' CE2' ' A' ' 40' ' ' PHE . 0.6 OUTLIER -125.79 9.42 7.61 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.88 -40.86 85.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -73.14 -50.75 20.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 29.7 t -59.48 -55.0 40.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 110.007 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.463 HG12 ' CD1' ' A' ' 12' ' ' ILE . 51.6 t -54.22 -46.84 68.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.567 ' HG2' ' CH2' ' A' ' 78' ' ' TRP . 50.8 mtt180 -57.43 -42.52 82.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -56.81 -58.2 9.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.613 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.489 ' O ' ' N ' ' A' ' 58' ' ' ASN . 1.8 t-20 -61.2 -37.51 83.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.606 HD21 ' CZ3' ' A' ' 78' ' ' TRP . 0.8 OUTLIER -48.34 -50.28 30.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.59 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 1.1 t -81.37 -28.57 34.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.994 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.9 mp -80.81 3.48 22.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 0.0 109.326 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.489 ' N ' ' O ' ' A' ' 54' ' ' ASN . 29.6 t-20 -106.14 -67.67 0.92 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.573 ' HB3' ' CD2' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -75.6 -48.07 23.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.341 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.475 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.1 OUTLIER 85.72 64.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 108.288 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.599 ' CD2' ' HB3' ' A' ' 80' ' ' LEU . 0.2 OUTLIER -119.33 -163.26 0.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 111.01 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.419 ' O ' ' HB3' ' A' ' 78' ' ' TRP . 98.0 t -115.2 149.86 17.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.605 ' HB2' ' CD1' ' A' ' 78' ' ' TRP . 0.0 OUTLIER -117.6 150.5 38.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.451 HG11 ' CE2' ' A' ' 77' ' ' TYR . 0.4 OUTLIER -119.89 142.76 33.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -151.65 24.85 0.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.577 1.173 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.72 81.44 1.9 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.279 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -155.3 163.27 25.13 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 67.48 6.0 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.47 1.774 . . . . 0.0 110.96 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.32 56.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 110.011 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.451 ' CZ ' ' CB ' ' A' ' 70' ' ' ARG . 9.2 mtm105 -137.41 89.4 16.0 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 83.95 1.74 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.453 1.765 . . . . 0.0 111.009 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 1.1 m95 66.82 13.39 9.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 108.022 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 77.59 117.92 0.19 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.47 1.106 . . . . 0.0 110.992 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 173.44 -42.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 0.772 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.83 104.51 14.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -146.27 -178.05 5.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.451 ' CE2' HG11 ' A' ' 64' ' ' VAL . 2.7 p90 -150.51 160.16 43.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.973 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.606 ' CZ3' HD21 ' A' ' 55' ' ' LEU . 21.4 m0 -115.28 164.65 13.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 107.999 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -119.94 112.05 18.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.599 ' HB3' ' CD2' ' A' ' 61' ' ' PHE . 0.8 OUTLIER -118.67 151.11 38.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.08 . . . . 0.0 109.302 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 13.4 p-10 -156.18 157.48 31.21 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.546 1.814 . . . . 0.0 110.99 -179.985 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.466 0.174 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 65.0 mt -61.63 -53.85 42.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.346 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.11 -32.48 71.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.249 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.43 ' O ' ' CG ' ' A' ' 14' ' ' MET . 0.8 OUTLIER -59.7 -50.67 72.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 109.288 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.444 HD11 ' CG2' ' A' ' 51' ' ' VAL . 0.6 OUTLIER -62.56 -40.5 88.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.424 ' OG1' ' ND2' ' A' ' 58' ' ' ASN . 51.7 m -56.28 -54.12 49.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.411 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.43 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 6.4 ptt? -65.48 -26.59 68.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 111.019 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.466 ' CB ' HG12 ' A' ' 29' ' ' ILE . . . -66.82 -52.7 40.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.606 HD12 ' CE2' ' A' ' 61' ' ' PHE . 0.7 OUTLIER -76.32 -20.11 15.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 109.307 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.56 -9.97 22.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -75.9 -4.86 43.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.588 ' O ' ' CB ' ' A' ' 20' ' ' ALA . 1.1 p -70.05 -50.73 38.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.973 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.588 ' CB ' ' O ' ' A' ' 19' ' ' SER . . . 90.34 43.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 54.11 55.17 27.51 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.477 1.111 . . . . 0.0 111.042 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -163.34 -76.96 0.03 OUTLIER Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.426 ' C ' ' HB2' ' A' ' 19' ' ' SER . 0.0 OUTLIER -162.5 160.66 26.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 0.766 . . . . 0.0 110.318 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.48 HD11 ' CD1' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -160.12 159.69 32.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.271 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.47 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 4.0 p -104.51 105.64 15.83 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.457 1.098 . . . . 0.0 110.427 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.601 HD21 ' CE3' ' A' ' 78' ' ' TRP . 0.6 OUTLIER -46.52 -29.09 1.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.8 -45.44 67.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.433 ' OE2' ' NE1' ' A' ' 72' ' ' TRP . 0.9 OUTLIER -70.98 -27.71 63.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.578 1.174 . . . . 0.0 110.299 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.48 ' CD1' HD11 ' A' ' 24' ' ' LEU . 1.1 mt -62.21 -59.06 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 -66.32 -29.01 69.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.347 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -57.47 -50.15 73.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 110.296 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.616 ' CD1' ' C ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -80.49 -24.34 39.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.948 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.579 HD13 ' CE1' ' A' ' 32' ' ' TYR . 2.1 tp -64.01 -52.58 58.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.2 mtp -73.99 -30.29 62.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 111.014 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -80.13 -17.42 74.37 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.523 1.14 . . . . 0.0 111.012 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.493 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 5.6 tttp -103.02 -49.59 3.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 0.775 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -98.68 109.29 52.67 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 111.032 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -39.74 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.514 1.797 . . . . 0.0 110.975 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -52.62 -36.19 55.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.76 ' CE2' ' CE2' ' A' ' 47' ' ' TRP . 0.1 OUTLIER -74.08 -36.2 64.28 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.128 . . . . 0.0 111.009 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.4 ttt-85 -80.61 2.18 26.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.277 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -125.52 43.78 1.33 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.526 1.141 . . . . 0.0 110.968 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.4 m -152.14 -75.13 0.14 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.464 0.744 . . . . 0.0 110.011 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.562 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 1.7 p90 -173.12 115.43 0.26 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 111.043 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 74.6 p -86.79 50.75 2.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.407 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -126.72 39.59 1.95 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.493 1.121 . . . . 0.0 110.943 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.76 ' CE2' ' CE2' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -109.82 9.47 24.68 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.06 -24.44 39.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.251 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 44.4 m-20 -77.38 -52.76 8.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 109.361 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 87.0 p -68.7 -35.01 76.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.993 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.444 ' CG2' HD11 ' A' ' 12' ' ' ILE . 2.4 t -66.1 -54.97 21.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.426 ' CG ' ' CH2' ' A' ' 78' ' ' TRP . 1.5 tmm_? -55.78 -40.26 72.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.228 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.419 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 0.2 OUTLIER -60.63 -55.96 26.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.571 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -65.13 -16.65 63.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.575 ' CD1' ' CZ3' ' A' ' 78' ' ' TRP . 0.5 OUTLIER -71.11 -54.43 11.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.9 t -81.06 -21.85 39.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.969 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.419 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 4.5 tp -80.33 0.8 31.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.424 ' ND2' ' OG1' ' A' ' 13' ' ' THR . 59.5 t-20 -123.73 -54.13 1.75 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.147 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.6 ' HB3' ' CD2' ' A' ' 61' ' ' PHE . 0.3 OUTLIER -80.22 -50.22 10.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 34.0 m 75.56 69.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 108.288 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.606 ' CE2' HD12 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -127.31 -165.46 1.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.989 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 85.1 t -118.74 152.82 20.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.514 ' HD3' ' CE2' ' A' ' 78' ' ' TRP . 2.6 ttpt -120.58 148.13 44.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.568 HG23 ' CE2' ' A' ' 77' ' ' TYR . 16.6 m -125.8 67.36 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.267 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.493 ' C ' ' CD2' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -84.19 -22.41 30.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -99.96 65.22 1.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.401 ' O ' ' OH ' ' A' ' 77' ' ' TYR . 8.3 t70 178.87 80.3 0.16 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.255 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 60.29 5.4 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.545 1.813 . . . . 0.0 111.022 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 33.7 m -71.83 -49.76 35.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.557 1.161 . . . . 0.0 110.026 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.422 ' N ' ' HD3' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -157.85 63.37 2.74 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.31 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.422 ' HD3' ' N ' ' A' ' 70' ' ' ARG . 18.4 Cg_endo -74.94 -169.08 0.58 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.556 1.819 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.433 ' NE1' ' OE2' ' A' ' 28' ' ' GLU . 3.7 m95 -93.96 28.93 2.25 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 100.48 -40.48 2.41 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.528 1.142 . . . . 0.0 111.032 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -159.75 46.41 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 0.784 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.2 -165.77 1.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 109.236 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -149.18 166.84 27.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.621 ' CD1' ' N ' ' A' ' 77' ' ' TYR . 0.4 OUTLIER -129.31 153.26 48.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.601 ' CE3' HD21 ' A' ' 26' ' ' LEU . 13.8 m0 -113.02 153.7 27.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 107.999 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.2 ptm -119.4 108.16 14.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.985 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.586 ' HB3' ' CD2' ' A' ' 61' ' ' PHE . 0.4 OUTLIER -119.5 136.04 54.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.112 . . . . 0.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -145.63 98.5 4.53 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.173 0 O-C-N 124.478 1.778 . . . . 0.0 110.965 179.983 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.426 ' CD1' HD23 ' A' ' 11' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.499 0.19 . . . . 0.0 110.977 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -48.64 -31.7 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.47 -52.23 19.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 109.35 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.426 HD23 ' CD1' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -55.92 -35.83 67.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.463 HD11 ' CG2' ' A' ' 51' ' ' VAL . 1.1 mp -74.26 -36.88 44.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.5 m -61.47 -46.2 91.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.41 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.444 ' CG ' ' OH ' ' A' ' 32' ' ' TYR . 13.2 ptt? -75.61 -29.66 59.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.127 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.528 ' HA ' ' CE2' ' A' ' 32' ' ' TYR . . . -69.51 -58.48 3.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.475 ' CD1' HD21 ' A' ' 55' ' ' LEU . 22.1 mm -63.85 -32.69 58.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.46 -22.13 1.11 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -48.58 -30.99 5.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.117 . . . . 0.0 109.26 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 59.5 p -91.77 -144.73 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.968 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -173.05 34.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 80' ' ' LEU . . . 85.7 43.09 6.58 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.506 1.129 . . . . 0.0 110.966 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 80' ' ' LEU . . . -142.72 -69.52 0.03 OUTLIER Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.36 158.7 27.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 0.765 . . . . 0.0 110.297 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.473 ' CD1' ' HA ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -156.17 164.1 38.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.414 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 6.1 p -114.22 111.68 21.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.393 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.578 HD23 ' CE3' ' A' ' 78' ' ' TRP . 2.2 mm? -63.36 -26.38 68.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.24 -53.32 54.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.412 ' O ' ' HB3' ' A' ' 32' ' ' TYR . 3.7 tm-20 -66.61 -42.37 86.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.494 ' CG1' ' O ' ' A' ' 15' ' ' ALA . 1.1 mp -62.68 -30.94 50.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -67.95 -51.73 44.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 0.0 109.298 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -68.15 -23.58 64.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 110.321 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.528 ' CE2' ' HA ' ' A' ' 15' ' ' ALA . 0.2 OUTLIER -80.8 -39.26 27.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.986 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.553 ' CD1' ' N ' ' A' ' 34' ' ' MET . 0.0 OUTLIER -69.24 -46.63 66.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.553 ' N ' ' CD1' ' A' ' 33' ' ' LEU . 5.7 ttp -74.39 -31.04 62.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.943 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -79.24 3.96 64.62 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.5 mmtp -115.65 -36.87 4.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 0.771 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.406 ' CB ' ' HB2' ' A' ' 40' ' ' PHE . 10.5 m-30 -98.28 110.52 56.66 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -27.27 10.26 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.501 1.79 . . . . 0.0 110.976 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -74.57 -22.29 59.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 111.022 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.406 ' HB2' ' CB ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -80.32 -38.51 30.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 111.032 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.32 3.27 18.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -123.31 19.2 7.69 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.2 m -126.95 -85.87 0.6 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 0.805 . . . . 0.0 110.038 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.567 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 2.0 p90 -159.35 122.38 3.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 16.2 m -91.13 53.27 2.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 110.447 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -123.04 41.26 1.82 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.504 1.128 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.401 ' HD1' ' CE1' ' A' ' 44' ' ' TYR . 0.0 OUTLIER -118.4 7.24 11.89 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.19 -43.32 67.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -79.36 -51.85 8.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.355 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.52 -46.71 66.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.994 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.486 ' O ' ' N ' ' A' ' 55' ' ' LEU . 1.9 p -66.19 -48.79 80.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.474 ' N ' ' CG1' ' A' ' 51' ' ' VAL . 0.2 OUTLIER -49.18 -39.53 29.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.259 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -67.97 -57.07 6.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.628 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.466 ' O ' ' ND2' ' A' ' 58' ' ' ASN . 3.9 m120 -63.3 -14.66 52.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.68 ' CD2' ' CZ3' ' A' ' 78' ' ' TRP . 0.6 OUTLIER -81.24 -43.28 19.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.599 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 6.7 p -77.72 -29.36 51.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 0.0 109.965 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.0 mt -81.69 -30.28 32.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.466 ' ND2' ' O ' ' A' ' 54' ' ' ASN . 0.5 OUTLIER -60.1 -86.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.604 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 0.2 OUTLIER -56.24 -54.66 42.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.604 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 4.8 t 98.49 56.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 108.306 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.599 ' CE1' ' HA ' ' A' ' 56' ' ' SER . 0.2 OUTLIER -119.11 -166.45 1.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.0 m -117.03 169.85 7.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.469 ' HB3' ' CD1' ' A' ' 78' ' ' TRP . 17.1 mttt -118.59 163.22 17.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 60.4 t -119.87 83.75 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.1 tp -82.64 125.33 31.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.8 ttt-85 48.83 94.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.333 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -143.88 121.53 6.79 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.335 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 76.52 3.38 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.499 1.789 . . . . 0.0 111.001 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.1 m -136.62 -51.0 0.68 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.041 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.432 ' N ' ' HD3' ' A' ' 71' ' ' PRO . 7.9 ptp180 -135.99 62.68 47.56 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.432 ' HD3' ' N ' ' A' ' 70' ' ' ARG . 18.3 Cg_endo -74.99 54.54 3.67 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.519 1.799 . . . . 0.0 110.981 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 7.1 t90 -176.14 38.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 108.016 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -95.59 -57.81 1.16 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.497 1.123 . . . . 0.0 110.96 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.3 mttt 179.71 -53.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 0.748 . . . . 0.0 109.334 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -153.95 -64.29 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -165.04 168.03 17.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.347 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.545 ' CD1' ' N ' ' A' ' 77' ' ' TYR . 1.7 p90 -140.82 157.74 44.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.97 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.68 ' CZ3' ' CD2' ' A' ' 55' ' ' LEU . 18.6 m0 -114.46 162.83 16.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 108.037 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 12.2 ttm -119.63 114.39 22.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 111.03 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.596 ' HB3' ' CD2' ' A' ' 61' ' ' PHE . 1.2 pt? -119.96 157.33 29.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.245 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 11.1 p-10 -168.56 160.46 8.66 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.177 0 O-C-N 124.532 1.806 . . . . 0.0 110.982 -179.984 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.49 0.186 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.407 ' O ' ' OG1' ' A' ' 13' ' ' THR . 0.1 OUTLIER -68.82 -15.42 19.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.85 -51.93 9.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.535 ' CD1' ' CD2' ' A' ' 33' ' ' LEU . 1.1 pp -61.95 -37.99 86.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.528 ' CG1' HD11 ' A' ' 55' ' ' LEU . 0.7 OUTLIER -68.87 -41.38 82.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.46 ' O ' ' CG ' ' A' ' 17' ' ' ARG . 9.3 m -62.53 -50.57 70.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.385 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.523 ' CE ' ' OH ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -74.78 -15.17 60.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 11' ' ' LEU . . . -80.24 -55.4 4.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.586 HD13 ' CE2' ' A' ' 61' ' ' PHE . 0.4 OUTLIER -72.29 -23.17 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.46 ' CG ' ' O ' ' A' ' 13' ' ' THR . 12.2 mtt-85 -61.05 -10.19 5.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.577 1.173 . . . . 0.0 110.352 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -80.84 6.43 13.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.493 ' O ' ' CB ' ' A' ' 20' ' ' ALA . 3.9 p -83.46 -39.03 21.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.007 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 19' ' ' SER . . . 82.99 41.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 48.85 45.98 31.79 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.507 1.129 . . . . 0.0 111.022 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 80' ' ' LEU . . . -149.83 -72.11 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.1 ptt180 -161.05 158.88 28.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 0.779 . . . . 0.0 110.314 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.494 ' CD1' ' CD1' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -160.18 160.24 32.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.482 ' HA ' ' HA ' ' A' ' 77' ' ' TYR . 0.1 OUTLIER -102.34 101.73 12.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 110.402 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.587 ' HG ' ' CZ2' ' A' ' 78' ' ' TRP . 0.3 OUTLIER -51.64 -35.22 41.23 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.482 ' CB ' ' HB2' ' A' ' 75' ' ' ASP . . . -52.73 -49.18 65.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.67 -30.97 71.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.344 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.494 ' CD1' ' CD1' ' A' ' 24' ' ' LEU . 1.3 mp -68.28 -39.24 80.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -63.97 -52.68 58.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -29.83 70.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 110.234 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.523 ' OH ' ' CE ' ' A' ' 14' ' ' MET . 1.3 t80 -77.38 -30.61 53.77 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.487 1.117 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.535 ' CD2' ' CD1' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -73.54 -52.67 12.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.1 ptm -71.51 -21.62 61.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -79.88 -22.06 64.59 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.525 1.14 . . . . 0.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.99 -59.77 1.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.423 0.72 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -70.02 113.11 15.23 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 111.021 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -32.94 4.95 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.454 1.765 . . . . 0.0 111.006 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -65.47 -31.82 73.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 110.971 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.806 ' CD2' ' CZ2' ' A' ' 47' ' ' TRP . 1.5 m-30 -73.8 -38.17 64.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -89.94 24.79 2.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.329 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -143.34 -45.42 0.05 OUTLIER Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.522 1.139 . . . . 0.0 111.02 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 26.8 m -69.71 -76.63 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 0.798 . . . . 0.0 109.984 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.548 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 2.6 p90 -168.49 125.74 1.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.962 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.49 HG21 ' CZ2' ' A' ' 47' ' ' TRP . 36.0 m -94.83 39.82 1.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 110.403 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -102.74 46.8 1.18 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.475 1.109 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.806 ' CZ2' ' CD2' ' A' ' 40' ' ' PHE . 0.8 OUTLIER -128.91 17.78 6.18 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.0 -47.34 74.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 110.316 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -79.1 -40.75 30.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.18 -50.76 72.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.04 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.42 HG13 ' CG1' ' A' ' 12' ' ' ILE . 13.0 t -65.98 -47.68 84.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.402 ' HG2' ' CH2' ' A' ' 78' ' ' TRP . 61.0 mtt180 -53.96 -40.4 66.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.324 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -67.63 -58.35 4.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.606 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.405 ' O ' ' OD1' ' A' ' 58' ' ' ASN . 81.0 m-20 -58.14 -20.99 44.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.663 ' CD2' ' CZ3' ' A' ' 78' ' ' TRP . 0.8 OUTLIER -78.85 -40.01 33.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 109.328 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.589 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -72.19 -45.08 61.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.003 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.7 pp -79.4 0.82 27.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.405 ' OD1' ' O ' ' A' ' 54' ' ' ASN . 0.4 OUTLIER -77.02 -76.0 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.261 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.541 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 0.2 OUTLIER -82.23 -32.56 29.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.461 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.1 OUTLIER 84.65 61.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 108.289 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.589 ' CE1' ' HA ' ' A' ' 56' ' ' SER . 0.3 OUTLIER -119.32 -165.5 1.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.973 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.5 p -117.52 154.48 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.553 ' HB2' ' CD1' ' A' ' 78' ' ' TRP . 0.5 OUTLIER -119.07 157.32 28.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.261 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 58.3 t -132.71 107.15 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.3 pp -156.96 62.24 0.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 176.84 99.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.322 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 172.84 155.01 0.25 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 55.02 3.81 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.531 1.806 . . . . 0.0 110.997 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.1 75.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.986 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.506 ' CD ' ' OH ' ' A' ' 77' ' ' TYR . 0.2 OUTLIER 168.73 -53.9 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 0.0 110.307 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.481 ' HD3' ' CB ' ' A' ' 70' ' ' ARG . 18.2 Cg_endo -74.98 55.53 3.96 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.471 1.774 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -93.67 -31.8 14.31 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -104.72 -85.73 1.87 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 175.3 41.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 0.757 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.482 ' HB2' ' CB ' ' A' ' 27' ' ' ALA . 3.8 p-10 -158.3 164.05 36.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -150.23 -174.05 4.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.533 ' C ' ' HD1' ' A' ' 78' ' ' TRP . 1.9 p90 -141.79 163.25 33.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.663 ' CZ3' ' CD2' ' A' ' 55' ' ' LEU . 13.4 m0 -114.59 167.8 10.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 0.0 108.0 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.33 109.53 12.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.087 . . . . 0.0 110.996 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.585 ' HB3' ' CD2' ' A' ' 61' ' ' PHE . 0.7 OUTLIER -119.26 148.28 43.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 29.6 p30 -153.68 154.35 30.17 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.19 0 O-C-N 124.452 1.764 . . . . 0.0 111.024 -179.996 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 120.474 0.178 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -56.42 -50.4 72.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.88 -31.47 72.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.587 1.179 . . . . 0.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.56 HD12 ' CZ ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -62.75 -42.67 99.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.483 ' O ' ' N ' ' A' ' 15' ' ' ALA . 4.4 mm -68.29 -64.42 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -42.16 -36.62 1.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.384 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 40.7 ttp -74.91 -36.83 62.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 111.04 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' A' ' 12' ' ' ILE . . . -69.13 -37.63 78.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.108 . . . . 0.0 109.277 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.555 ' HA ' ' CD2' ' A' ' 24' ' ' LEU . 10.3 mm -78.16 -28.26 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.49 -16.34 3.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 110.286 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -72.76 -26.55 61.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.252 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.611 ' O ' ' CB ' ' A' ' 20' ' ' ALA . 0.7 OUTLIER -69.28 -58.37 4.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.016 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.611 ' CB ' ' O ' ' A' ' 19' ' ' SER . . . 91.87 45.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 50.6 57.23 10.94 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.553 1.158 . . . . 0.0 110.985 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 80' ' ' LEU . . . -158.02 -74.07 0.02 OUTLIER Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.1 ppt_? -161.21 156.25 23.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 0.754 . . . . 0.0 110.278 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.555 ' CD2' ' HA ' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -160.92 170.52 20.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.459 ' HA ' ' HA ' ' A' ' 77' ' ' TYR . 7.5 p -113.59 114.1 26.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.511 1.132 . . . . 0.0 110.373 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.596 HD21 ' CE3' ' A' ' 78' ' ' TRP . 3.3 mm? -62.65 -28.15 69.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.24 -51.32 68.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -74.2 -36.61 64.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.247 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.582 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 0.6 OUTLIER -56.41 -52.85 47.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.413 ' N ' HG23 ' A' ' 29' ' ' ILE . 62.0 t-20 -70.52 -31.4 68.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -54.69 -45.55 73.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.289 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.663 ' CD1' ' C ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -80.08 -34.1 38.31 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 111.024 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.601 ' CD1' ' CZ ' ' A' ' 32' ' ' TYR . 1.9 tp -52.51 -48.36 66.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -80.59 -33.35 36.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -76.61 -0.99 69.68 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.512 1.132 . . . . 0.0 110.977 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.5 tttt -113.66 -51.1 2.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 0.75 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.56 ' CZ ' HD12 ' A' ' 11' ' ' LEU . 38.5 m-85 -83.64 115.76 61.16 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 110.991 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -36.8 2.33 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.476 1.777 . . . . 0.0 110.98 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -62.16 -32.2 72.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 110.997 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 1.8 m-30 -70.91 -45.42 64.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.1 ptt85 -83.35 7.8 15.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.319 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -113.21 -48.97 0.58 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.5 1.125 . . . . 0.0 110.968 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.2 m -70.04 -76.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 0.738 . . . . 0.0 110.002 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.542 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 2.0 p90 -156.88 122.96 4.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.978 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.0 t -89.39 37.95 0.88 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.388 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -114.54 57.7 0.46 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.474 1.109 . . . . 0.0 111.044 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 1.2 p-90 -131.25 21.63 4.82 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.8 ttp180 -63.55 -47.28 82.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 56.2 m-20 -74.95 -34.72 62.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.1 t -69.02 -53.63 19.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.163 . . . . 0.0 109.996 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.473 ' CG2' HD12 ' A' ' 12' ' ' ILE . 4.6 p -57.08 -51.0 74.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.472 ' N ' ' CG1' ' A' ' 51' ' ' VAL . 0.7 OUTLIER -56.88 -39.62 74.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.27 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.476 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 37.2 t60 -56.54 -57.36 12.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.557 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.5 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 2.5 m-20 -65.19 -28.42 69.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.261 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.564 ' CD2' ' CZ3' ' A' ' 78' ' ' TRP . 0.3 OUTLIER -55.34 -54.13 47.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.572 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.3 OUTLIER -81.22 -29.05 34.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.992 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.476 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 1.4 tp -80.12 0.73 30.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 9.5 t30 -103.44 -81.44 0.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.609 ' HB3' ' CD2' ' A' ' 61' ' ' PHE . 1.1 t70 -62.83 -53.6 51.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.562 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 4.0 t 92.98 66.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 108.278 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.609 ' CD2' ' HB3' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -119.5 -164.58 1.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.987 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 70.0 t -115.52 153.68 17.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.171 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.607 ' HB3' ' CD1' ' A' ' 78' ' ' TRP . 0.0 OUTLIER -119.22 154.27 33.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.411 ' O ' ' N ' ' A' ' 66' ' ' ARG . 13.1 t -118.48 82.89 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 66' ' ' ARG . 0.2 OUTLIER -62.7 83.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.464 ' CG ' ' HA ' ' A' ' 69' ' ' SER . 0.1 OUTLIER 34.85 69.85 0.15 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.246 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.513 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 0.2 OUTLIER -80.86 -52.0 0.91 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 67' ' ' ASP . 18.2 Cg_endo -75.07 0.03 9.43 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.474 1.776 . . . . 0.0 111.031 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.464 ' HA ' ' CG ' ' A' ' 66' ' ' ARG . 0.1 OUTLIER 64.65 54.73 1.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.019 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.589 ' HD2' ' CE2' ' A' ' 77' ' ' TYR . 15.9 mtp85 -47.96 105.1 0.46 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 110.283 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -2.49 12.62 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.477 1.778 . . . . 0.0 110.996 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 38.7 m95 -45.26 -55.75 5.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 107.973 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -173.45 -83.24 0.05 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.513 1.133 . . . . 0.0 110.954 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.7 tttm -163.62 57.32 0.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 0.75 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -128.73 -176.1 3.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.152 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -170.44 162.57 8.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.589 ' CE2' ' HD2' ' A' ' 70' ' ' ARG . 1.3 p90 -126.42 160.39 30.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 111.026 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.607 ' CD1' ' HB3' ' A' ' 63' ' ' LYS . 28.0 m0 -115.18 158.58 22.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 107.991 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -119.91 113.78 21.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 111.027 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.576 ' CB ' ' HB3' ' A' ' 61' ' ' PHE . 1.1 pt? -118.31 159.17 23.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -175.38 133.12 0.46 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.135 0 O-C-N 124.551 1.816 . . . . 0.0 110.983 -179.978 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.461 ' HA ' ' CD2' ' A' ' 11' ' ' LEU . 20.9 m-30 . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.461 0.172 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.1 tt -68.73 -37.14 77.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.341 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.54 -56.93 4.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.325 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.462 HD11 ' CD2' ' A' ' 33' ' ' LEU . 0.7 OUTLIER -50.11 -38.49 38.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.49 ' CD1' HD11 ' A' ' 55' ' ' LEU . 4.0 mm -65.58 -49.93 74.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.1 m -47.29 -46.75 25.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.391 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.445 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 3.3 ptt? -77.41 -22.94 50.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.993 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.98 -46.56 77.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.482 HD11 ' CD1' ' A' ' 55' ' ' LEU . 2.7 mm -80.38 -32.13 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.63 -23.28 0.64 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.333 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.4 ' N ' ' C ' ' A' ' 16' ' ' ILE . 63.4 t0 -49.68 -38.05 31.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.34 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.2 -145.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.045 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -166.53 30.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 84.43 40.51 8.37 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 80' ' ' LEU . . . -136.11 -71.08 0.06 OUTLIER Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.044 -0.823 . . . . 0.0 111.044 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.02 160.98 31.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 0.76 . . . . 0.0 110.335 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.45 ' CD1' ' HA ' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -150.11 160.72 43.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 60.3 p -113.34 111.48 22.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.396 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.584 ' CD2' ' CD2' ' A' ' 78' ' ' TRP . 4.6 mm? -60.91 -28.48 68.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.72 -53.41 51.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -71.69 -35.39 70.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.282 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.57 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 0.7 OUTLIER -59.7 -50.54 79.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.528 ' OD1' ' CZ3' ' A' ' 47' ' ' TRP . 1.3 t30 -68.53 -32.0 71.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -56.14 -49.57 73.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.594 ' CD1' ' C ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -72.93 -34.75 66.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 0.0 110.996 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.462 ' CD2' HD11 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -55.08 -52.06 64.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.1 ttp -73.1 -38.09 66.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.42 -14.81 69.71 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.527 1.142 . . . . 0.0 110.961 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 44.8 tttp -96.83 -56.52 2.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 0.753 . . . . 0.0 109.339 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -71.32 114.36 27.09 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -16.79 19.97 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.558 1.82 . . . . 0.0 111.03 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -89.66 -23.13 21.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.983 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 4.6 m-30 -84.54 -18.63 35.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -88.82 20.75 3.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 110.297 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -115.46 -66.89 0.42 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 45' ' ' THR . 5.4 m -125.99 -56.52 1.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 0.739 . . . . 0.0 109.977 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.51 ' O ' ' NE1' ' A' ' 47' ' ' TRP . 0.3 OUTLIER -59.88 81.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.449 ' N ' ' O ' ' A' ' 43' ' ' SER . 21.2 m -131.15 4.11 4.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.415 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -118.08 42.54 1.8 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.448 1.093 . . . . 0.0 110.987 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.605 ' CE3' ' CG2' ' A' ' 51' ' ' VAL . 1.7 p-90 -103.72 7.57 37.28 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -55.8 -22.22 23.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.263 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -77.12 -50.75 12.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 68.4 m -73.06 -34.01 66.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.99 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.605 ' CG2' ' CE3' ' A' ' 47' ' ' TRP . 2.0 t -65.89 -54.82 23.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 55.2 mtm180 -59.13 -42.93 91.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.332 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.49 ' O ' ' CB ' ' A' ' 57' ' ' LEU . 0.2 OUTLIER -55.34 -51.14 67.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.585 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.573 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 2.2 t30 -70.25 -29.36 66.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.62 ' CD2' ' CZ3' ' A' ' 78' ' ' TRP . 0.3 OUTLIER -54.37 -55.99 23.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.594 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 1.5 t -82.1 -28.32 32.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.965 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.49 ' CB ' ' O ' ' A' ' 53' ' ' HIS . 1.9 tp -80.21 1.7 27.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.573 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 6.4 t-20 -108.6 -79.31 0.58 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.125 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.66 ' HB3' ' CD2' ' A' ' 61' ' ' PHE . 4.0 t70 -61.22 -51.54 68.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.522 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 7.0 m 89.12 66.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 108.28 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.66 ' CD2' ' HB3' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -122.59 -164.56 1.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.96 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.432 ' O ' ' HB3' ' A' ' 78' ' ' TRP . 11.7 t -115.24 149.91 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.615 ' HB2' ' CD1' ' A' ' 78' ' ' TRP . 0.0 OUTLIER -116.59 150.38 38.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.313 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.472 ' CG1' ' HB2' ' A' ' 67' ' ' ASP . 3.9 t -119.59 133.32 66.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.261 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.1 tt -91.55 -75.05 0.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.0 mtm180 -139.81 83.16 1.91 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.088 . . . . 0.0 110.29 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.472 ' HB2' ' CG1' ' A' ' 64' ' ' VAL . 0.6 OUTLIER -113.06 162.59 21.13 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 71.53 4.98 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.51 1.795 . . . . 0.0 111.018 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.71 -62.04 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.998 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.425 ' N ' ' HD3' ' A' ' 71' ' ' PRO . 2.7 mpt_? -136.48 63.16 46.76 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.425 ' HD3' ' N ' ' A' ' 70' ' ' ARG . 18.3 Cg_endo -75.0 55.06 3.83 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.481 1.779 . . . . 0.0 110.962 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.548 ' O ' ' CG ' ' A' ' 72' ' ' TRP . 43.0 t-105 179.66 40.85 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 107.997 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -100.95 -179.08 29.13 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.506 1.128 . . . . 0.0 111.012 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.05 -40.06 57.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 0.744 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -168.85 -66.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -158.48 159.99 36.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.544 ' CD1' ' N ' ' A' ' 77' ' ' TYR . 2.0 p90 -137.81 157.31 46.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.62 ' CZ3' ' CD2' ' A' ' 55' ' ' LEU . 27.2 m0 -114.73 163.55 15.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 108.005 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.22 111.94 18.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 111.022 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.585 ' HB3' ' CD2' ' A' ' 61' ' ' PHE . 0.6 OUTLIER -119.43 145.12 46.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 -155.1 157.96 31.95 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.461 1.769 . . . . 0.0 111.029 179.99 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.563 ' CE2' HG22 ' A' ' 51' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.526 0.203 . . . . 0.0 110.994 . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -64.9 -36.35 77.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.79 -43.75 35.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.546 ' CD1' ' CE2' ' A' ' 37' ' ' PHE . 0.3 OUTLIER -58.11 -39.25 78.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.483 ' CG2' ' N ' ' A' ' 13' ' ' THR . 0.4 OUTLIER -69.32 -60.21 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.339 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.483 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 3.6 m -48.2 -33.47 8.57 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.462 1.101 . . . . 0.0 110.409 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.475 ' CE ' ' OH ' ' A' ' 32' ' ' TYR . 34.4 ttp -74.35 -42.49 59.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 111.017 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.503 ' CB ' HG13 ' A' ' 29' ' ' ILE . . . -65.56 -51.55 58.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.602 HD13 ' CE2' ' A' ' 61' ' ' PHE . 0.4 OUTLIER -66.46 -31.36 53.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.457 ' CG ' ' O ' ' A' ' 13' ' ' THR . 0.0 OUTLIER -53.23 -17.7 1.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.25 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -45.76 -25.81 0.56 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.484 ' HB3' ' CB ' ' A' ' 24' ' ' LEU . 5.1 p -86.52 -145.77 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.024 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.454 ' N ' ' OG ' ' A' ' 19' ' ' SER . . . -171.61 33.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 86.15 44.51 5.93 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.468 1.105 . . . . 0.0 111.023 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 80' ' ' LEU . . . -148.41 -66.98 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.2 ptt85 -161.28 141.08 10.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.608 0.828 . . . . 0.0 110.314 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.515 ' CD1' ' HB2' ' A' ' 78' ' ' TRP . 0.0 OUTLIER -135.75 142.55 45.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.428 ' N ' HD23 ' A' ' 24' ' ' LEU . 76.0 p -92.24 114.95 27.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.392 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.556 ' HG ' ' CZ2' ' A' ' 78' ' ' TRP . 0.2 OUTLIER -74.61 -25.92 59.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.479 ' CB ' ' HB3' ' A' ' 75' ' ' ASP . . . -63.94 -48.24 77.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.67 -35.17 72.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.328 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.503 HG13 ' CB ' ' A' ' 15' ' ' ALA . 1.3 mp -61.32 -60.97 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -61.9 -30.05 70.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -56.96 -51.6 68.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.598 ' CE1' HD11 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -80.84 -17.32 51.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 111.044 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.598 HD11 ' CE1' ' A' ' 32' ' ' TYR . 2.6 tp -71.37 -49.48 41.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 5.6 ptt? -71.08 -22.75 62.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 110.967 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.59 -43.94 42.17 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.52 1.137 . . . . 0.0 110.993 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.9 mtmt -74.43 -40.25 62.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 0.749 . . . . 0.0 109.238 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.546 ' CE2' ' CD1' ' A' ' 11' ' ' LEU . 4.9 m-85 -121.33 75.85 32.74 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 111.012 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -19.16 18.17 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.48 1.779 . . . . 0.0 110.993 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -90.91 -20.71 21.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 111.021 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.59 ' CE1' ' OH ' ' A' ' 44' ' ' TYR . 4.6 t80 -86.01 -15.29 41.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.527 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 0.0 OUTLIER -98.21 26.8 5.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.315 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -150.79 58.0 0.44 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.469 1.106 . . . . 0.0 110.996 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.66 -71.02 0.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 109.982 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.59 ' OH ' ' CE1' ' A' ' 40' ' ' PHE . 7.5 p90 -110.13 143.08 40.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.158 . . . . 0.0 111.025 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 30.5 m -77.61 53.87 1.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.45 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -156.55 72.53 0.24 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.527 ' CE2' ' HA ' ' A' ' 41' ' ' ARG . 0.2 OUTLIER -106.65 -75.11 0.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.421 ' O ' ' CB ' ' A' ' 52' ' ' ARG . 11.7 mtm180 -58.48 -29.39 66.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.12 . . . . 0.0 110.289 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -71.27 -54.46 10.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 73.2 m -67.3 -45.36 76.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.988 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.563 HG22 ' CE2' ' A' ' 8' ' ' TYR . 15.8 t -58.18 -52.21 61.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.421 ' CB ' ' O ' ' A' ' 48' ' ' ARG . 2.3 tmt_? -61.05 -32.2 71.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.304 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.409 ' O ' ' HB3' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -62.82 -56.2 19.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.545 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.492 ' HA ' ' CD2' ' A' ' 57' ' ' LEU . 1.5 m-80 -67.03 -33.54 75.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.687 ' O ' ' CZ ' ' A' ' 61' ' ' PHE . 3.6 mt -59.42 -46.4 88.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.555 1.159 . . . . 0.0 109.316 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.433 ' O ' ' HA ' ' A' ' 60' ' ' CYS . 10.5 p -76.3 -36.42 58.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.021 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.501 ' O ' ' CD1' ' A' ' 57' ' ' LEU . 0.2 OUTLIER -81.3 1.98 30.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.445 ' HB3' ' O ' ' A' ' 55' ' ' LEU . 12.2 t-20 -85.34 -94.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.439 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 1.2 m-20 -81.92 -31.74 31.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 0.0 109.342 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.439 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 10.0 m 82.97 86.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 108.303 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.687 ' CZ ' ' O ' ' A' ' 55' ' ' LEU . 0.5 OUTLIER -128.91 -165.52 1.52 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 60.1 t -116.94 155.25 18.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.576 ' HG3' ' CD1' ' A' ' 78' ' ' TRP . 8.7 ttmt -119.64 142.91 48.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.577 HG11 ' CE2' ' A' ' 77' ' ' TYR . 9.8 p -125.07 137.98 55.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.2 tp -127.22 -51.28 1.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.78 108.08 15.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.13 . . . . 0.0 110.274 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.486 ' CB ' ' OH ' ' A' ' 77' ' ' TYR . 0.1 OUTLIER -159.3 159.99 28.54 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 0.0 109.271 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 60.53 5.47 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.464 1.771 . . . . 0.0 110.971 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.425 ' CB ' ' HD2' ' A' ' 70' ' ' ARG . 3.4 m -142.51 -54.74 0.42 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.004 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.425 ' HD2' ' CB ' ' A' ' 69' ' ' SER . 0.0 OUTLIER -143.01 68.82 18.16 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.324 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -37.01 2.2 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.469 1.773 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -115.32 44.93 1.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 107.964 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -111.92 -137.25 7.1 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.533 1.146 . . . . 0.0 111.029 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -160.98 30.28 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 0.775 . . . . 0.0 109.255 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.479 ' HB3' ' CB ' ' A' ' 27' ' ' ALA . 78.0 m-20 -148.52 175.08 11.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.357 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.446 ' N ' ' OD1' ' A' ' 76' ' ' ASN . 5.3 p-10 -170.76 176.14 4.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.604 ' CD1' ' N ' ' A' ' 77' ' ' TYR . 0.6 OUTLIER -134.7 160.04 39.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.958 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.576 ' CD1' ' HG3' ' A' ' 63' ' ' LYS . 8.8 m0 -113.8 160.17 19.0 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.0 ttm -118.92 109.42 15.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 111.017 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.57 ' HB3' ' CD2' ' A' ' 61' ' ' PHE . 0.2 OUTLIER -119.3 137.86 53.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -148.17 157.09 43.19 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.173 0 O-C-N 124.462 1.769 . . . . 0.0 110.993 -179.983 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.442 ' CD1' HD22 ' A' ' 11' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.458 0.17 . . . . 0.0 111.006 . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.43 HG21 ' N ' ' A' ' 10' ' ' ALA . 1.7 tp -53.49 -34.1 22.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.43 ' N ' HG21 ' A' ' 9' ' ' ILE . . . -72.43 -46.15 56.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.491 ' CD1' ' C ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -54.83 -37.36 66.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.493 ' O ' ' N ' ' A' ' 15' ' ' ALA . 45.3 mm -68.42 -57.74 8.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 50.9 m -42.87 -42.63 3.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.404 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.522 ' CE ' ' OH ' ' A' ' 32' ' ' TYR . 9.5 ptt? -80.5 -24.1 39.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 12' ' ' ILE . . . -73.29 -51.29 18.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.5 ' CG2' ' HG ' ' A' ' 24' ' ' LEU . 1.6 mm -72.92 -34.11 45.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.418 ' HB2' ' HA ' ' A' ' 14' ' ' MET . 0.0 OUTLIER -46.17 -23.39 0.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 110.277 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.422 ' N ' ' C ' ' A' ' 16' ' ' ILE . 5.4 t70 -60.23 -31.04 69.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.54 ' OG ' ' N ' ' A' ' 20' ' ' ALA . 1.4 p -68.79 -68.09 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.997 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.54 ' N ' ' OG ' ' A' ' 19' ' ' SER . . . 86.35 49.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 61.96 59.78 9.08 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.514 1.134 . . . . 0.0 111.042 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -155.64 -73.99 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.43 ' O ' ' HB2' ' A' ' 19' ' ' SER . 3.1 ptt180 -159.61 132.8 6.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 0.763 . . . . 0.0 110.283 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.512 ' CD1' HD23 ' A' ' 26' ' ' LEU . 2.0 tm? -118.37 130.04 55.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.0 p -102.97 121.73 43.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.1 . . . . 0.0 110.378 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.626 ' CD2' ' CD2' ' A' ' 78' ' ' TRP . 4.1 mm? -75.59 -21.76 57.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.34 -57.23 7.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.89 -34.45 77.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 110.27 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.3 mp -65.37 -40.56 88.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -61.69 -49.92 74.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.82 -27.36 68.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.356 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.522 ' OH ' ' CE ' ' A' ' 14' ' ' MET . 0.8 OUTLIER -80.23 -26.13 39.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.482 ' CD2' HD11 ' A' ' 11' ' ' LEU . 0.6 OUTLIER -75.47 -52.58 10.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 109.305 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 74.6 mtm -67.37 -26.03 66.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -79.8 -20.43 68.27 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.538 1.149 . . . . 0.0 110.981 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.504 ' HG3' ' CE1' ' A' ' 32' ' ' TYR . 3.1 mmtm -103.89 -58.85 1.81 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 0.768 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -78.13 113.92 37.71 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.966 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -39.5 1.18 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.492 1.786 . . . . 0.0 110.984 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -61.55 -30.66 70.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -76.45 -29.11 56.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 111.016 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.7 ttt180 -99.39 30.65 3.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.3 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -148.36 -45.96 0.03 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.489 1.118 . . . . 0.0 111.055 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 28.9 m -69.74 -77.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 0.756 . . . . 0.0 109.998 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.532 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 10.4 p90 -159.11 123.82 4.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 41.3 p -89.99 36.82 0.87 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.404 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -110.71 52.8 0.61 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.481 1.113 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.44 ' NE1' ' O ' ' A' ' 44' ' ' TYR . 0.1 OUTLIER -126.9 6.3 6.62 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -55.64 -38.57 69.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.305 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -72.43 -52.27 16.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 66.6 m -59.65 -55.23 36.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.004 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.421 ' CG1' ' N ' ' A' ' 52' ' ' ARG . 0.5 OUTLIER -53.64 -44.46 57.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.421 ' N ' ' CG1' ' A' ' 51' ' ' VAL . 65.1 mtt180 -61.1 -43.82 98.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 0.0 110.338 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 61.1 m170 -55.57 -49.83 71.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.614 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.511 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 1.3 t-20 -69.31 -31.28 69.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.646 ' CD2' ' CZ3' ' A' ' 78' ' ' TRP . 0.4 OUTLIER -55.58 -52.44 63.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.098 . . . . 0.0 109.266 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.589 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -79.33 -31.94 43.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.944 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 37.2 mt -80.22 1.17 29.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.511 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 7.2 t30 -101.11 -77.47 0.54 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.659 ' HB3' ' CD2' ' A' ' 61' ' ' PHE . 3.7 t70 -67.89 -54.51 18.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.585 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 2.3 t 94.76 71.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 108.343 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.659 ' CD2' ' HB3' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -125.76 -165.1 1.38 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 110.975 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.448 ' O ' ' HB3' ' A' ' 78' ' ' TRP . 72.2 t -115.48 153.84 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.597 ' HB2' ' CD1' ' A' ' 78' ' ' TRP . 0.2 OUTLIER -116.67 148.84 40.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.572 HG21 ' CE2' ' A' ' 77' ' ' TYR . 5.5 m -120.72 41.53 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.164 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 66' ' ' ARG . 2.3 mt -41.97 149.81 0.13 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 65' ' ' LEU . 58.7 ttt180 38.51 64.96 0.68 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 110.267 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.448 ' CG ' ' CE1' ' A' ' 77' ' ' TYR . 8.3 p-10 -88.58 135.78 32.05 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 71.67 4.92 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.535 1.808 . . . . 0.0 111.021 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.5 m -153.73 -56.46 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 110.037 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -117.91 81.7 16.09 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -33.41 4.58 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.497 1.788 . . . . 0.0 110.961 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 13.0 m0 -114.66 45.3 1.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 107.976 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -106.04 -148.02 15.79 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.515 1.135 . . . . 0.0 111.021 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.3 tptt -62.72 -52.84 61.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 0.779 . . . . 0.0 109.326 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 171.23 -69.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -168.79 164.16 11.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.572 ' CE2' HG21 ' A' ' 64' ' ' VAL . 27.5 p90 -143.14 160.83 39.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.973 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.646 ' CZ3' ' CD2' ' A' ' 55' ' ' LEU . 20.1 m0 -115.25 162.29 17.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 107.984 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.406 ' N ' ' O ' ' A' ' 62' ' ' VAL . 0.2 OUTLIER -117.89 122.0 42.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 111.013 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.492 ' CB ' ' HB3' ' A' ' 61' ' ' PHE . 2.2 pt? -121.99 154.7 36.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -168.01 153.33 6.72 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.15 0 O-C-N 124.495 1.787 . . . . 0.0 110.943 -179.989 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.49 0.186 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 tt -54.98 -46.25 76.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.74 -42.54 97.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.091 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.447 ' CD1' HD21 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -55.32 -44.04 75.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.424 ' CG2' ' HA ' ' A' ' 55' ' ' LEU . 20.1 mm -60.38 -55.41 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.9 m -50.49 -38.34 43.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 110.411 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 56.9 ttp -77.34 -23.64 50.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 111.046 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.14 -52.26 8.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.249 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.527 HD13 ' CD1' ' A' ' 55' ' ' LEU . 8.3 mm -69.31 -31.34 49.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -46.47 -23.76 0.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.25 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.431 ' CB ' HD12 ' A' ' 29' ' ' ILE . 5.9 t70 -48.38 -30.92 5.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 60.3 p -91.23 -143.95 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.0 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -171.05 33.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.69 43.33 7.33 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.459 1.099 . . . . 0.0 111.035 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.46 ' CA ' ' O ' ' A' ' 80' ' ' LEU . . . -141.4 -68.65 0.03 OUTLIER Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.8 ptt180 -161.08 163.74 31.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 0.749 . . . . 0.0 110.295 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.474 ' CD2' HD21 ' A' ' 80' ' ' LEU . 0.1 OUTLIER -160.45 171.82 18.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 76' ' ' ASN . 31.1 p -129.49 118.78 22.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.446 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.591 ' HG ' ' CZ2' ' A' ' 78' ' ' TRP . 4.2 mm? -66.53 -20.85 66.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.417 ' HB2' ' CB ' ' A' ' 75' ' ' ASP . . . -62.03 -51.33 68.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.63 -39.02 46.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.564 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 1.1 mp -55.1 -47.64 76.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -73.36 -36.72 66.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -49.84 -46.41 51.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.333 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.666 ' CD1' ' C ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -80.39 -35.94 34.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 110.979 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.531 HD13 ' CZ ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -54.49 -44.67 72.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.419 ' HG3' ' N ' ' A' ' 35' ' ' GLY . 5.1 ptp -80.31 -26.23 38.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 111.019 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.419 ' N ' ' HG3' ' A' ' 34' ' ' MET . . . -78.66 -21.68 68.53 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.493 1.12 . . . . 0.0 110.999 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -95.04 -59.56 1.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 0.74 . . . . 0.0 109.258 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.436 ' CZ ' HD12 ' A' ' 11' ' ' LEU . 65.0 m-85 -74.25 113.85 27.71 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -38.53 1.53 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.475 1.776 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -61.65 -32.49 72.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.404 ' HD2' ' CZ2' ' A' ' 47' ' ' TRP . 3.9 m-85 -71.81 -39.15 70.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 111.015 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.13 24.48 4.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.338 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -138.25 -48.18 0.07 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.551 1.157 . . . . 0.0 111.009 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.6 m -69.73 -68.48 0.41 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 0.777 . . . . 0.0 109.98 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.611 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 2.2 p90 -163.02 107.5 1.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 7.8 t -78.67 52.31 1.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.414 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -144.02 79.31 0.25 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.56 1.162 . . . . 0.0 111.043 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.512 ' CE3' HG23 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -139.56 17.74 2.54 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.418 ' O ' ' HG2' ' A' ' 52' ' ' ARG . 53.4 ttm-85 -58.75 -23.62 60.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.304 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -75.8 -51.75 11.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.5 p -71.56 -32.41 68.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 0.0 109.986 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.512 HG23 ' CE3' ' A' ' 47' ' ' TRP . 2.8 t -66.63 -62.22 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.418 ' HG2' ' O ' ' A' ' 48' ' ' ARG . 0.9 OUTLIER -53.27 -37.83 62.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 110.333 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.532 ' O ' ' CB ' ' A' ' 57' ' ' LEU . 0.1 OUTLIER -58.0 -53.37 59.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.6 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.519 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 3.6 t30 -72.83 -23.43 60.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.648 ' CD2' ' CZ3' ' A' ' 78' ' ' TRP . 0.2 OUTLIER -61.88 -56.74 16.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.405 ' O ' ' HA ' ' A' ' 60' ' ' CYS . 0.2 OUTLIER -79.58 -36.44 38.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.97 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.532 ' CB ' ' O ' ' A' ' 53' ' ' HIS . 7.3 tt -66.45 -9.18 31.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.519 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 16.0 t30 -103.24 -78.27 0.55 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.649 ' HB3' ' CD2' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -62.08 -56.4 19.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.325 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.509 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 4.0 t 88.81 63.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 108.292 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.649 ' CD2' ' HB3' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -119.39 -167.0 1.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.97 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 40.7 t -117.36 163.2 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.429 ' HE3' ' NE1' ' A' ' 78' ' ' TRP . 0.2 OUTLIER -118.66 155.32 31.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 10.1 t -121.42 -43.2 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.249 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 60.28 177.76 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -40.28 113.26 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.33 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -161.36 157.73 22.14 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 78.17 2.94 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.511 1.795 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.1 p -149.25 -46.4 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.005 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.549 ' HD3' ' CE1' ' A' ' 77' ' ' TYR . 0.1 OUTLIER -128.19 76.79 77.63 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.277 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 49.71 2.31 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.535 1.808 . . . . 0.0 111.013 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -105.09 -27.84 11.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 108.006 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -139.57 -60.49 0.04 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.119 . . . . 0.0 110.981 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 75.93 39.52 0.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 0.77 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.417 ' CB ' ' HB2' ' A' ' 27' ' ' ALA . 4.2 m-20 -110.06 -68.33 0.93 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.401 ' O ' ' HA ' ' A' ' 25' ' ' THR . 9.6 m120 -156.14 107.29 2.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.549 ' CE1' ' HD3' ' A' ' 70' ' ' ARG . 0.6 OUTLIER -118.31 123.45 45.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 111.028 179.92 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.648 ' CZ3' ' CD2' ' A' ' 55' ' ' LEU . 11.3 m0 -115.05 155.51 26.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 108.042 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -125.26 114.8 19.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.148 . . . . 0.0 110.973 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.518 ' CB ' ' HB3' ' A' ' 61' ' ' PHE . 1.1 pt? -120.34 153.57 36.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.265 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -166.53 154.85 9.53 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.176 0 O-C-N 124.468 1.773 . . . . 0.0 110.95 -179.983 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.51 0.195 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.416 HD12 ' N ' ' A' ' 10' ' ' ALA . 2.6 pp -61.85 -47.25 94.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.416 ' N ' HD12 ' A' ' 9' ' ' ILE . . . -61.93 -41.33 97.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.538 HD13 ' CZ ' ' A' ' 37' ' ' PHE . 0.5 OUTLIER -58.55 -50.33 74.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.338 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.413 ' O ' HG12 ' A' ' 16' ' ' ILE . 0.5 OUTLIER -61.58 -40.8 87.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 35.1 m -52.45 -48.34 65.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.423 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.436 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 7.1 ptt? -77.43 -20.23 54.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.53 -52.73 11.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 109.332 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.505 ' CD1' HD13 ' A' ' 24' ' ' LEU . 24.3 mm -69.07 -35.69 69.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -46.2 -22.24 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.424 ' N ' ' C ' ' A' ' 16' ' ' ILE . 22.1 t0 -52.87 -38.56 61.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.616 ' O ' ' CB ' ' A' ' 20' ' ' ALA . 1.7 p -70.11 -63.9 0.99 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.045 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.616 ' CB ' ' O ' ' A' ' 19' ' ' SER . . . 92.82 38.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 69.36 57.24 7.65 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.532 1.145 . . . . 0.0 110.988 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 80' ' ' LEU . . . -158.02 -74.57 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.423 ' C ' ' HB3' ' A' ' 19' ' ' SER . 0.0 OUTLIER -160.83 130.88 5.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 0.776 . . . . 0.0 110.297 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.505 HD13 ' CD1' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -119.57 169.65 9.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.434 ' HA ' ' HA ' ' A' ' 77' ' ' TYR . 72.5 p -127.52 92.84 3.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 110.388 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.593 HD23 ' CE3' ' A' ' 78' ' ' TRP . 4.5 mm? -45.22 -27.64 0.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.491 ' CB ' ' HB2' ' A' ' 75' ' ' ASP . . . -65.85 -49.98 66.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.45 -36.69 65.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 110.302 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.401 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 1.4 mp -60.03 -54.25 37.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -68.38 -28.72 67.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 0.0 109.274 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -58.45 -50.32 74.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.641 ' CD1' ' C ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -79.02 -24.96 43.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.526 HD13 ' CZ ' ' A' ' 32' ' ' TYR . 3.2 tp -59.22 -53.01 63.19 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -80.38 -29.4 37.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -79.92 -3.58 89.35 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.493 1.121 . . . . 0.0 110.948 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 10.5 tttp -113.3 -52.39 2.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 0.781 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.538 ' CZ ' HD13 ' A' ' 11' ' ' LEU . 32.5 m-85 -85.42 113.6 51.66 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -31.76 5.99 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.452 1.764 . . . . 0.0 111.066 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.4 ' O ' ' OG ' ' A' ' 43' ' ' SER . 28.3 m-85 -68.06 -31.08 70.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 110.953 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.744 ' CE2' ' CE2' ' A' ' 47' ' ' TRP . 0.1 OUTLIER -70.31 -42.72 71.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 110.968 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -81.74 5.92 17.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -133.6 45.85 1.09 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.496 1.122 . . . . 0.0 111.012 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 39' ' ' PHE . 36.2 m -151.18 -72.26 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 0.756 . . . . 0.0 110.002 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.583 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 2.7 p90 -168.58 105.66 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.996 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 10.8 m -78.16 53.97 1.29 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.399 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -136.61 39.88 1.59 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.504 1.127 . . . . 0.0 111.013 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.744 ' CE2' ' CE2' ' A' ' 40' ' ' PHE . 0.1 OUTLIER -109.49 -3.96 16.63 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 11.8 ttp85 -50.46 -25.77 4.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.243 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.422 ' O ' ' HG2' ' A' ' 52' ' ' ARG . 0.9 OUTLIER -76.6 -49.28 16.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.13 -25.05 60.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 109.992 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.471 ' N ' ' O ' ' A' ' 47' ' ' TRP . 2.9 t -71.63 -58.11 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.422 ' HG2' ' O ' ' A' ' 49' ' ' ASN . 14.7 ptt180 -56.42 -47.34 79.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.574 1.171 . . . . 0.0 110.334 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.428 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 0.6 OUTLIER -54.08 -56.78 14.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.591 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.501 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 7.1 t-20 -62.32 -29.16 70.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.582 ' CD2' ' CZ3' ' A' ' 78' ' ' TRP . 0.2 OUTLIER -54.91 -54.29 44.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.06 -27.07 33.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.005 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.428 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 1.8 tp -80.94 1.07 32.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 5.5 t30 -112.24 -66.02 1.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.577 ' HB3' ' CD2' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -79.7 -52.93 7.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.256 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.49 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 5.0 m 86.37 72.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 108.317 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.577 ' CD2' ' HB3' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -125.99 -165.7 1.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 110.99 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.408 ' O ' ' HB3' ' A' ' 78' ' ' TRP . 70.5 t -116.58 160.61 15.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.531 ' HE3' ' CE2' ' A' ' 78' ' ' TRP . 0.0 OUTLIER -118.02 154.08 32.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.436 ' N ' ' HG2' ' A' ' 63' ' ' LYS . 40.7 t -119.14 88.74 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.568 1.167 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' A' ' 64' ' ' VAL . 0.2 OUTLIER -39.23 154.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 0.0 109.239 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.45 ' NH2' ' O ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -60.77 86.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.271 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.23 166.84 11.37 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 68.65 5.76 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.479 1.778 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.6 m -123.45 -45.81 2.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.022 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.51 ' HD3' ' CZ ' ' A' ' 77' ' ' TYR . 1.6 mtp85 -132.22 68.99 80.42 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 110.316 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -0.17 9.64 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.523 1.802 . . . . 0.0 111.034 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -42.86 -41.01 3.12 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -119.53 -131.36 4.21 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.534 1.146 . . . . 0.0 111.042 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.45 ' O ' ' NH2' ' A' ' 66' ' ' ARG . 0.5 OUTLIER -162.58 41.77 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 0.788 . . . . 0.0 109.273 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.491 ' HB2' ' CB ' ' A' ' 27' ' ' ALA . 8.3 p-10 -117.45 -173.7 2.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.407 ' OD1' ' O ' ' A' ' 64' ' ' VAL . 49.7 t30 -132.95 149.66 52.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 109.235 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.56 ' CD1' ' N ' ' A' ' 77' ' ' TYR . 1.3 p90 -131.56 153.83 49.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.964 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.593 ' CE3' HD23 ' A' ' 26' ' ' LEU . 26.4 m0 -114.43 160.91 18.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 108.011 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.7 ptm -118.98 112.51 19.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 111.022 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.5 HD13 ' CG2' ' A' ' 16' ' ' ILE . 0.6 OUTLIER -119.01 153.25 34.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -160.23 155.87 22.25 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 109.332 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.16 0 O-C-N 124.473 1.775 . . . . 0.0 110.979 -179.937 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.824 ' HA ' HD23 ' A' ' 11' ' ' LEU . 4.3 m-85 . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.51 0.195 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 33.7 mt -69.84 -55.27 15.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.03 -45.45 79.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 1.003 HD11 HD21 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -58.54 -43.13 89.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.778 HD11 HG13 ' A' ' 51' ' ' VAL . 0.8 OUTLIER -65.12 -37.97 81.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.0 m -58.38 -50.77 72.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.389 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.417 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 3.5 ptt? -69.59 -26.17 64.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.5 ' HB1' HG23 ' A' ' 29' ' ' ILE . . . -70.22 -50.96 34.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.789 HD11 HD21 ' A' ' 55' ' ' LEU . 11.9 mm -67.55 -30.73 49.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.2 -19.5 2.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.511 ' CB ' HD11 ' A' ' 29' ' ' ILE . 19.7 t70 -48.76 -32.73 9.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.3 p -89.09 -142.05 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.989 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -168.5 33.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 79.59 39.42 18.01 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.517 1.135 . . . . 0.0 110.971 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -135.22 -68.74 0.07 OUTLIER Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.1 ptt-85 -162.22 156.6 21.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 0.78 . . . . 0.0 110.278 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.733 HD23 ' HB2' ' A' ' 78' ' ' TRP . 0.1 OUTLIER -160.97 166.77 27.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.415 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 1.4 p -119.31 113.95 21.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.4 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.947 HD11 HD22 ' A' ' 55' ' ' LEU . 3.7 mm? -60.19 -20.62 59.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.66 -47.48 81.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -73.73 -39.58 64.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.425 1.078 . . . . 0.0 110.257 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.511 HD11 ' CB ' ' A' ' 18' ' ' ASP . 0.6 OUTLIER -57.69 -51.52 69.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.405 ' HA ' ' HB2' ' A' ' 33' ' ' LEU . 62.1 m-20 -69.84 -29.99 67.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -57.52 -48.97 77.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.248 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.638 ' CD1' ' C ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -80.01 -26.42 39.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 111.017 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 1.003 HD21 HD11 ' A' ' 11' ' ' LEU . 3.1 tp -57.41 -48.41 79.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -79.86 -28.74 39.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.952 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -78.18 -6.43 87.63 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.524 1.14 . . . . 0.0 110.961 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? -111.79 -55.69 2.47 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.507 0.769 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 9.8 m-30 -83.42 113.77 48.87 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.995 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -39.86 1.06 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.451 1.764 . . . . 0.0 111.003 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -58.57 -33.62 70.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.798 ' CD2' ' CZ2' ' A' ' 47' ' ' TRP . 0.1 OUTLIER -71.5 -36.19 71.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.97 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.12 12.1 14.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.264 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -140.67 40.45 1.37 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.453 1.096 . . . . 0.0 111.032 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 39.4 m -143.5 -69.55 0.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 0.753 . . . . 0.0 110.023 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.568 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 4.4 p90 -169.93 107.99 0.37 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.6 p -77.01 56.67 1.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 110.404 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -142.49 28.52 2.19 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.525 1.141 . . . . 0.0 110.986 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.798 ' CZ2' ' CD2' ' A' ' 40' ' ' PHE . 0.9 OUTLIER -99.34 -12.53 20.22 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.2 ttt180 -50.13 -22.31 1.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -78.46 -48.52 15.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 109.258 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.76 -32.04 63.62 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.131 . . . . 0.0 109.978 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.778 HG13 HD11 ' A' ' 12' ' ' ILE . 5.2 t -69.32 -56.81 10.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.424 ' CG ' ' N ' ' A' ' 53' ' ' HIS . 5.1 ptt180 -57.8 -40.45 79.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.289 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.471 ' O ' HD13 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -57.8 -55.78 30.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 109.587 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.483 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 2.1 t30 -64.3 -28.76 69.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.972 HD23 ' CZ3' ' A' ' 78' ' ' TRP . 1.0 OUTLIER -56.15 -51.37 68.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.272 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.577 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -80.67 -29.98 36.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.007 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.471 HD13 ' O ' ' A' ' 53' ' ' HIS . 10.7 mp -80.73 0.52 34.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.483 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 22.7 t-20 -108.43 -76.16 0.62 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.605 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 1.2 m-20 -58.62 -53.14 61.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.52 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.5 OUTLIER 88.93 59.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 108.338 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.605 ' CE2' ' HB2' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -119.19 -169.52 1.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.977 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.6 p -118.65 140.55 41.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 78' ' ' TRP . 0.1 OUTLIER -119.05 175.14 5.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.438 HG22 ' O ' ' A' ' 77' ' ' TYR . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.4 ' O ' ' HB ' ' A' ' 25' ' ' THR . 2.2 m-20 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.438 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.1 OUTLIER -119.33 126.88 52.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 111.024 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.972 ' CZ3' HD23 ' A' ' 55' ' ' LEU . 16.1 m0 -116.48 145.1 43.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 108.026 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -120.45 106.05 11.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.681 ' CD2' HD22 ' A' ' 24' ' ' LEU . 0.6 OUTLIER -119.64 152.56 36.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 13.5 p30 -163.41 158.03 17.31 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.186 0 O-C-N 124.471 1.774 . . . . 0.0 111.053 -179.999 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.471 ' HA ' ' CD2' ' A' ' 11' ' ' LEU . 4.6 m-85 . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.568 0.223 . . . . 0.0 111.034 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.42 HG13 ' N ' ' A' ' 10' ' ' ALA . 7.0 pt -65.65 -32.98 60.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.42 ' N ' HG13 ' A' ' 9' ' ' ILE . . . -74.2 -55.98 5.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.826 ' CD1' HD21 ' A' ' 33' ' ' LEU . 1.1 pp -56.35 -28.67 59.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.243 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 1.012 ' CD1' HD12 ' A' ' 55' ' ' LEU . 3.3 mm -72.55 -49.94 38.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.8 m -51.86 -45.88 64.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.412 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.3 ptt? -72.36 -31.05 65.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.964 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.401 ' O ' HD11 ' A' ' 29' ' ' ILE . . . -66.81 -45.24 78.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.331 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.947 HD11 ' CG ' ' A' ' 55' ' ' LEU . 10.4 mm -73.65 -29.79 27.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.87 -17.59 1.47 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.304 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -51.47 -32.29 26.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.2 p -86.23 -144.33 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.95 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -166.07 31.68 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 80' ' ' LEU . . . 82.28 42.45 8.62 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 80' ' ' LEU . . . -141.32 -67.79 0.03 OUTLIER Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -160.75 155.73 24.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 0.764 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.604 HD22 HD22 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -150.27 172.93 14.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.449 HG22 ' HB3' ' A' ' 77' ' ' TYR . 37.8 p -124.01 110.75 15.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.413 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.89 HD11 HD22 ' A' ' 55' ' ' LEU . 3.7 mm? -62.68 -25.13 67.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.91 -52.0 64.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -72.97 -34.03 66.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 110.316 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.608 HG21 HD13 ' A' ' 26' ' ' LEU . 0.9 OUTLIER -59.33 -53.91 41.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.501 ' N ' HG22 ' A' ' 29' ' ' ILE . 11.8 t-20 -69.02 -29.54 67.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -57.49 -48.87 78.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.264 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.631 ' CD1' ' C ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -80.29 -25.98 39.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.976 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.826 HD21 ' CD1' ' A' ' 11' ' ' LEU . 3.5 tp -58.45 -50.23 74.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 6.0 ttp -79.98 -20.82 44.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -80.16 -9.53 86.51 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.443 1.09 . . . . 0.0 111.008 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.12 -55.79 2.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 0.742 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.451 ' CE2' HD22 ' A' ' 11' ' ' LEU . 3.3 m-85 -69.88 112.92 13.94 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.406 ' HA ' ' HG2' ' A' ' 41' ' ' ARG . 18.2 Cg_endo -75.03 -34.78 3.54 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.483 1.78 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -64.67 -32.24 73.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 111.012 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.795 ' CD2' ' CZ2' ' A' ' 47' ' ' TRP . 1.3 m-30 -69.31 -43.63 73.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 111.011 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.406 ' HG2' ' HA ' ' A' ' 38' ' ' PRO . 5.3 ptm180 -82.2 6.79 15.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 110.264 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -135.49 24.29 3.37 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.445 1.091 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.7 m -135.47 -79.93 0.43 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 0.763 . . . . 0.0 110.006 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.534 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 1.8 p90 -165.65 119.44 1.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.982 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 38.6 m -86.9 51.19 2.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.422 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -128.02 41.49 1.58 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.536 1.147 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.795 ' CZ2' ' CD2' ' A' ' 40' ' ' PHE . 2.0 p-90 -120.36 3.68 10.79 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.422 ' HG2' ' ND2' ' A' ' 30' ' ' ASN . 55.1 mtp180 -54.72 -29.15 52.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -79.32 -37.41 37.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 28.9 m -75.98 -38.72 57.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.99 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.694 HG22 HD11 ' A' ' 12' ' ' ILE . 0.3 OUTLIER -68.1 -52.28 40.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 109.305 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.54 ' N ' ' CG1' ' A' ' 51' ' ' VAL . 7.0 ptm180 -60.17 -42.82 95.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.324 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.496 ' N ' ' CG ' ' A' ' 52' ' ' ARG . 5.3 m170 -55.28 -56.97 13.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 109.59 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.466 ' O ' ' N ' ' A' ' 58' ' ' ASN . 1.3 m-20 -62.76 -31.71 72.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.265 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 1.012 HD12 ' CD1' ' A' ' 12' ' ' ILE . 0.4 OUTLIER -52.88 -50.1 64.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.553 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -79.83 -30.74 40.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.161 . . . . 0.0 109.988 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -80.13 1.29 28.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.466 ' N ' ' O ' ' A' ' 54' ' ' ASN . 0.9 OUTLIER -99.21 -88.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.548 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 0.2 OUTLIER -57.26 -50.23 73.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.336 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.548 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 4.4 t 92.46 64.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 108.328 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.553 ' CE1' ' HA ' ' A' ' 56' ' ' SER . 0.2 OUTLIER -119.22 -165.33 1.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 110.982 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 93.8 t -116.19 159.15 16.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.595 ' HB2' ' CD1' ' A' ' 78' ' ' TRP . 0.0 OUTLIER -118.63 152.07 36.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 57.7 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 109.31 -179.973 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.418 ' OD1' ' N ' ' A' ' 76' ' ' ASN . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.449 ' HB3' HG22 ' A' ' 25' ' ' THR . 5.0 p90 -131.78 157.32 44.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 111.041 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.615 ' CZ3' HD23 ' A' ' 55' ' ' LEU . 31.7 m0 -114.6 161.52 17.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 108.002 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 13.8 ttm -119.23 111.32 18.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.981 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.604 HD22 HD22 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -118.79 153.19 34.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -160.6 153.39 17.74 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.51 1.795 . . . . 0.0 111.071 179.951 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.927 ' HA ' HD23 ' A' ' 11' ' ' LEU . 4.1 m-85 . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.508 0.194 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -53.91 -40.72 45.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.52 -50.42 63.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 1.131 HD11 HD21 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -54.97 -36.8 65.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 1.009 HD12 HD12 ' A' ' 55' ' ' LEU . 10.2 mm -67.68 -46.44 82.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.249 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 84.4 m -52.16 -49.09 64.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 110.415 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 3.9 ptt? -73.14 -26.47 61.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.22 -43.08 74.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.344 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.884 HD11 ' CG ' ' A' ' 55' ' ' LEU . 3.9 mm -80.77 -24.07 10.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.8 -15.46 3.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 110.301 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -58.43 -33.94 70.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.102 . . . . 0.0 109.267 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.1 p -82.79 -143.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.027 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -169.32 32.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.079 . . . . 0.0 109.308 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.427 ' CA ' ' HD2' ' A' ' 82' ' ' PRO . . . 80.47 41.69 11.13 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 80' ' ' LEU . . . -139.44 -68.79 0.04 OUTLIER Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.3 ptt180 -161.16 162.41 31.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 0.778 . . . . 0.0 110.314 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.649 HD21 HD22 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -160.15 170.25 21.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.275 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.451 ' HA ' ' HA ' ' A' ' 77' ' ' TYR . 15.7 p -118.38 112.52 20.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.388 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.698 HD11 HD22 ' A' ' 55' ' ' LEU . 3.2 mm? -63.94 -27.3 69.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.55 -53.23 57.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -70.66 -35.04 72.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.276 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.443 HG21 HD13 ' A' ' 26' ' ' LEU . 1.1 mp -57.68 -49.39 80.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.415 ' ND2' ' HD3' ' A' ' 48' ' ' ARG . 0.8 OUTLIER -69.45 -32.38 71.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -56.1 -51.01 69.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 110.257 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.648 ' CD1' ' C ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -75.7 -28.82 58.77 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 110.961 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 1.131 HD21 HD11 ' A' ' 11' ' ' LEU . 2.3 tp -56.95 -48.05 79.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 6.3 mtt -78.2 -28.12 47.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 110.999 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -76.11 -13.76 82.92 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.433 1.083 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.5 mtpt -102.96 -57.6 2.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 0.776 . . . . 0.0 109.299 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -80.11 113.67 40.45 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 111.031 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -39.5 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.495 1.787 . . . . 0.0 110.98 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -59.1 -32.29 69.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.98 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.756 ' CD2' ' CZ2' ' A' ' 47' ' ' TRP . 0.1 OUTLIER -76.29 -28.0 56.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.969 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.64 3.13 38.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.375 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -144.15 54.11 0.58 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.477 1.111 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 73.7 m -150.3 -72.97 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 0.73 . . . . 0.0 109.986 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.552 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 1.9 p90 -174.81 117.65 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 111.034 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.8 t -87.5 52.27 2.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.398 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -126.03 27.03 5.2 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.485 1.115 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.756 ' CZ2' ' CD2' ' A' ' 40' ' ' PHE . 3.4 p-90 -106.66 0.04 24.04 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.415 ' HD3' ' ND2' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -52.22 -30.68 28.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.468 ' H ' ' ND2' ' A' ' 49' ' ' ASN . 1.7 p30 -75.3 -53.68 8.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.52 -40.74 97.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.017 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.672 HG21 ' CE3' ' A' ' 47' ' ' TRP . 2.1 t -60.21 -56.54 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.469 ' HG2' ' CH2' ' A' ' 78' ' ' TRP . 54.3 mtt180 -58.8 -40.37 83.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 110.269 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.407 ' ND1' HD22 ' A' ' 57' ' ' LEU . 27.9 t-80 -57.69 -57.42 12.83 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.123 . . . . 0.0 109.576 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.461 ' O ' ' N ' ' A' ' 58' ' ' ASN . 0.7 OUTLIER -62.03 -34.23 75.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 1.009 HD12 HD12 ' A' ' 12' ' ' ILE . 0.4 OUTLIER -52.7 -49.26 65.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.549 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.2 OUTLIER -80.29 -30.07 38.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.991 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.407 HD22 ' ND1' ' A' ' 53' ' ' HIS . 4.4 mp -80.46 1.38 29.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 54' ' ' ASN . 4.7 m-20 -98.39 -89.84 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.56 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 0.2 OUTLIER -56.65 -47.79 78.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.548 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 3.6 t 91.4 63.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 108.269 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -119.73 -165.33 1.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 111.033 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 94.7 t -116.36 153.59 17.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.343 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.589 ' HB2' ' CD1' ' A' ' 78' ' ' TRP . 0.0 OUTLIER -118.28 150.51 39.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.297 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 25.6 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.96 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.662 ' N ' HD21 ' A' ' 76' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.451 ' HA ' ' HA ' ' A' ' 25' ' ' THR . 13.4 p90 -143.79 157.69 44.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.943 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.614 ' CZ3' ' CD2' ' A' ' 55' ' ' LEU . 31.0 m0 -114.75 162.37 16.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 108.006 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -119.53 111.79 18.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 110.978 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.492 ' CB ' ' HB3' ' A' ' 61' ' ' PHE . 0.6 OUTLIER -118.83 156.56 29.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -167.49 75.97 0.97 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.568 1.167 . . . . 0.0 109.284 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.427 ' HD2' ' CA ' ' A' ' 21' ' ' GLY . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.142 0 O-C-N 124.498 1.788 . . . . 0.0 111.018 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.995 ' HA ' HD23 ' A' ' 11' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.508 0.194 . . . . 0.0 111.015 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 24.7 pt -61.44 -36.82 75.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.25 -52.87 23.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 1.035 ' CD1' HD21 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -49.96 -38.57 37.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.258 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.862 ' CD1' HD12 ' A' ' 55' ' ' LEU . 5.6 mm -68.35 -46.34 80.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.266 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 54.1 m -54.7 -49.4 70.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.433 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.1 ptt? -70.98 -25.69 62.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 110.955 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.439 ' O ' ' CG1' ' A' ' 29' ' ' ILE . . . -71.92 -42.16 67.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.904 HD11 HD21 ' A' ' 55' ' ' LEU . 8.2 mm -80.2 -22.58 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.9 ttp180 -59.41 -12.32 5.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.409 ' HB3' HD12 ' A' ' 24' ' ' LEU . 4.6 t70 -77.4 0.23 23.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.767 ' CB ' HD21 ' A' ' 80' ' ' LEU . 0.9 OUTLIER -96.1 -47.98 5.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.093 . . . . 0.0 109.949 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.646 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 82.19 43.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.344 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 54.38 52.08 47.02 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.516 1.135 . . . . 0.0 111.041 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -154.33 -79.06 0.02 OUTLIER Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -163.96 154.56 15.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 0.778 . . . . 0.0 110.267 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.752 HD13 ' HB3' ' A' ' 19' ' ' SER . 0.2 OUTLIER -161.7 170.59 19.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.26 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.418 HG22 ' CE1' ' A' ' 77' ' ' TYR . 3.2 p -104.04 105.45 15.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.098 . . . . 0.0 110.358 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.876 HD23 ' CD2' ' A' ' 78' ' ' TRP . 0.6 OUTLIER -52.69 -31.49 37.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.4 -49.13 75.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.36 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -67.07 -29.17 68.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.465 HG21 HD13 ' A' ' 26' ' ' LEU . 1.1 mp -59.62 -54.63 31.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.463 ' N ' HG22 ' A' ' 29' ' ' ILE . 31.0 m-20 -68.15 -30.4 69.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -56.82 -49.99 73.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.705 ' CE1' HD12 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -78.91 -26.93 43.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 1.035 HD21 ' CD1' ' A' ' 11' ' ' LEU . 2.0 tp -60.7 -47.96 83.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.6 ptt? -74.08 -32.15 63.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -76.46 -8.42 85.82 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.51 1.131 . . . . 0.0 111.036 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.6 mttp -106.98 -54.64 2.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 0.778 . . . . 0.0 109.295 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -75.87 113.6 28.81 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 0.0 111.022 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -39.28 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -65.68 -22.19 66.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.975 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.503 ' CD2' ' CZ2' ' A' ' 47' ' ' TRP . 2.1 m-30 -75.78 -49.61 17.63 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -71.57 -6.16 38.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -102.3 -47.48 1.43 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.572 1.17 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.5 m -69.9 -76.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 0.747 . . . . 0.0 110.005 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.495 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 15.2 p90 -169.17 126.26 0.94 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.574 HG23 ' CH2' ' A' ' 47' ' ' TRP . 48.8 m -94.02 48.67 1.27 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 110.389 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -125.0 47.62 1.01 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.519 1.137 . . . . 0.0 111.026 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.574 ' CH2' HG23 ' A' ' 45' ' ' THR . 0.0 OUTLIER -116.81 14.29 15.2 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.09 -31.33 69.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 110.3 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -71.95 -55.42 7.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 33.9 m -65.46 -33.18 75.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.017 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.535 HG13 HD11 ' A' ' 12' ' ' ILE . 3.0 t -61.92 -57.78 10.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.426 1.079 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.423 ' HG3' ' N ' ' A' ' 53' ' ' HIS . 0.5 OUTLIER -61.33 -29.57 69.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.318 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.666 ' O ' HD13 ' A' ' 57' ' ' LEU . 1.5 t-160 -59.65 -55.97 27.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.62 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 58' ' ' ASN . 6.0 t-20 -73.61 -28.97 62.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.904 HD21 HD11 ' A' ' 16' ' ' ILE . 0.5 OUTLIER -56.35 -52.66 63.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.2 t -74.45 -32.24 62.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.999 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.666 HD13 ' O ' ' A' ' 53' ' ' HIS . 10.9 mp -80.72 1.3 30.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 54' ' ' ASN . 14.3 t30 -93.06 -80.97 0.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.591 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 0.4 OUTLIER -79.52 -50.85 10.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.591 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 3.3 t 95.77 78.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 108.264 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.577 ' CE1' HD23 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -123.96 -166.52 1.5 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.521 HG12 ' O ' ' A' ' 79' ' ' MET . 12.9 p -119.21 155.91 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.471 ' HB2' ' CD2' ' A' ' 78' ' ' TRP . 1.7 tttt -119.42 146.09 45.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.673 HG13 ' O ' ' A' ' 77' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.524 ' OD1' ' CD1' ' A' ' 78' ' ' TRP . 20.2 p30 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.673 ' O ' HG13 ' A' ' 64' ' ' VAL . 1.2 m-85 -121.06 146.13 47.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 111.017 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.876 ' CD2' HD23 ' A' ' 26' ' ' LEU . 11.4 m0 -122.2 159.45 27.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 108.056 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.521 ' O ' HG12 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -134.61 108.15 7.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 111.0 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.767 HD21 ' CB ' ' A' ' 19' ' ' SER . 0.7 OUTLIER -118.93 150.22 40.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 109.284 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -160.51 138.12 7.02 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.178 0 O-C-N 124.496 1.787 . . . . 0.0 110.967 -179.975 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.518 0.199 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -60.77 -35.26 63.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.57 -39.74 84.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.283 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.846 HD13 ' CE1' ' A' ' 37' ' ' PHE . 6.9 tp -60.03 -48.94 79.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 1.048 ' O ' HG22 ' A' ' 16' ' ' ILE . 1.0 OUTLIER -66.9 -39.09 82.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.432 ' O ' ' CB ' ' A' ' 17' ' ' ARG . 21.4 m -57.7 -49.36 76.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.391 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.601 ' CE ' HD12 ' A' ' 11' ' ' LEU . 3.8 ptt? -70.05 -28.43 65.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.654 ' HB2' ' OH ' ' A' ' 32' ' ' TYR . . . -69.47 -59.7 2.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 1.048 HG22 ' O ' ' A' ' 12' ' ' ILE . 0.3 OUTLIER -65.59 -29.93 48.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.274 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.436 ' C ' ' N ' ' A' ' 19' ' ' SER . 0.0 OUTLIER -57.05 -14.07 3.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.252 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.458 ' HB2' HD11 ' A' ' 29' ' ' ILE . 11.2 t0 -47.74 -22.96 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.487 ' OG ' ' N ' ' A' ' 20' ' ' ALA . 1.7 p -86.19 -149.71 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.977 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.487 ' N ' ' OG ' ' A' ' 19' ' ' SER . . . -154.45 23.18 0.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.17 41.38 3.04 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.479 1.112 . . . . 0.0 111.043 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -142.39 -76.32 0.04 OUTLIER Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.434 ' CB ' ' HA ' ' A' ' 79' ' ' MET . 0.0 OUTLIER -164.97 163.41 20.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 0.76 . . . . 0.0 110.276 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.593 ' CD1' ' N ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -161.63 164.11 29.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.6 p -94.6 123.85 38.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.45 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.768 HD11 ' CD1' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -76.74 -24.85 53.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.63 -47.97 82.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -72.15 -42.43 65.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.651 HG23 ' HB1' ' A' ' 15' ' ' ALA . 0.7 OUTLIER -53.09 -50.61 44.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.295 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 30.3 m120 -72.03 -30.67 65.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -56.39 -48.51 76.74 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.461 1.101 . . . . 0.0 110.268 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.79 ' CE1' HD12 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -79.67 -30.01 41.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.79 HD12 ' CE1' ' A' ' 32' ' ' TYR . 1.8 tp -54.42 -48.38 71.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.3 ttp -75.93 -31.13 58.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 111.037 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.67 -13.03 78.23 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.528 1.142 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.75 -51.09 3.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.525 0.78 . . . . 0.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.846 ' CE1' HD13 ' A' ' 11' ' ' LEU . 6.0 m-85 -80.85 113.72 42.63 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.945 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -39.97 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.497 1.788 . . . . 0.0 111.029 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -60.8 -31.88 71.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 110.991 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.56 ' CD2' ' CZ2' ' A' ' 47' ' ' TRP . 2.5 m-85 -69.63 -40.29 76.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.986 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -81.05 -11.21 59.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 0.0 110.272 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -100.86 -47.29 1.63 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.438 1.086 . . . . 0.0 111.012 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 52.5 m -69.48 -74.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 0.733 . . . . 0.0 109.993 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.424 ' O ' ' CG ' ' A' ' 44' ' ' TYR . 1.5 p90 -174.67 132.81 0.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 111.015 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.555 HG23 ' CZ2' ' A' ' 47' ' ' TRP . 10.2 m -98.66 47.87 0.98 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.362 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -123.82 57.02 0.67 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.487 1.117 . . . . 0.0 111.02 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.56 ' CZ2' ' CD2' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -126.91 12.36 7.25 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.058 -1.089 . . . . 0.0 108.058 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.0 mtm180 -61.16 -23.73 65.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.294 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -74.93 -52.69 10.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.279 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.68 -38.4 73.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.025 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.824 HG13 HD11 ' A' ' 12' ' ' ILE . 4.8 t -62.3 -57.21 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.582 ' HG3' ' CH2' ' A' ' 78' ' ' TRP . 41.7 ttt180 -54.89 -44.64 74.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.347 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.479 ' CD2' HD13 ' A' ' 57' ' ' LEU . 4.0 t-160 -56.39 -57.79 10.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.1 . . . . 0.0 109.615 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.37 -26.98 68.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.914 HD13 ' CZ3' ' A' ' 78' ' ' TRP . 0.3 OUTLIER -58.88 -52.67 64.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 t -81.8 -23.79 36.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.978 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.479 HD13 ' CD2' ' A' ' 53' ' ' HIS . 0.5 OUTLIER -78.99 1.06 25.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -119.46 -51.81 2.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.579 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . 1.0 OUTLIER -80.91 -58.68 2.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.527 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.8 OUTLIER 90.4 69.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 108.326 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.741 ' HZ ' HD22 ' A' ' 55' ' ' LEU . 5.6 p90 -133.73 -163.36 1.35 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 110.999 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 49.0 t -119.69 156.87 22.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.613 ' HB2' ' CD1' ' A' ' 78' ' ' TRP . 0.0 OUTLIER -119.01 151.11 38.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.509 ' CG2' ' O ' ' A' ' 77' ' ' TYR . 19.2 m . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.553 ' CD1' ' N ' ' A' ' 77' ' ' TYR . 1.6 p90 -139.5 162.36 35.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 111.044 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.914 ' CZ3' HD13 ' A' ' 55' ' ' LEU . 16.9 m0 -118.33 161.22 20.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 107.998 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.434 ' HA ' ' CB ' ' A' ' 23' ' ' ARG . 2.2 ptm -119.29 113.6 21.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.738 HD23 ' H ' ' A' ' 80' ' ' LEU . 2.5 pt? -121.05 141.04 51.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 23.1 p-10 -146.41 144.28 20.7 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.168 0 O-C-N 124.504 1.792 . . . . 0.0 111.005 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 N--CA 1.452 -0.355 0 CA-C-O 120.523 0.202 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.417 HG13 ' N ' ' A' ' 10' ' ' ALA . 46.0 pt -65.07 -42.86 95.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.417 ' N ' HG13 ' A' ' 9' ' ' ILE . . . -59.7 -49.52 77.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.853 HD21 HD21 ' A' ' 33' ' ' LEU . 0.5 OUTLIER -56.24 -44.1 79.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.253 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.764 HD12 HD23 ' A' ' 11' ' ' LEU . 1.1 mp -63.13 -40.81 90.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.426 HG22 ' HD2' ' A' ' 17' ' ' ARG . 4.4 m -57.45 -55.81 30.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.404 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.415 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 3.1 ptt? -62.67 -26.27 68.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.565 ' HB1' HG23 ' A' ' 29' ' ' ILE . . . -73.25 -48.98 30.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.356 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.773 HD11 HD22 ' A' ' 80' ' ' LEU . 0.4 OUTLIER -74.34 -19.04 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.426 ' HD2' HG22 ' A' ' 13' ' ' THR . 2.2 mtt180 -72.42 -2.51 19.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 110.324 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.464 ' HB3' HD12 ' A' ' 24' ' ' LEU . 2.0 t70 -65.03 -11.33 37.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.405 ' OG ' ' N ' ' A' ' 20' ' ' ALA . 9.1 p -95.04 -146.12 0.27 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.029 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.405 ' N ' ' OG ' ' A' ' 19' ' ' SER . . . -155.96 25.6 0.37 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 80' ' ' LEU . . . 82.28 39.99 10.63 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.564 1.165 . . . . 0.0 111.032 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 80' ' ' LEU . . . -138.02 -68.98 0.05 OUTLIER Glycine 0 CA--C 1.531 1.048 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.0 ptt180 -161.43 150.89 16.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 0.787 . . . . 0.0 110.325 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.868 HD21 HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -161.06 153.89 20.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.351 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -99.94 116.16 31.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.44 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.96 HD11 HD12 ' A' ' 55' ' ' LEU . 1.3 mm? -63.67 -25.94 68.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.54 -48.95 73.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -67.66 -34.9 77.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.565 HG23 ' HB1' ' A' ' 15' ' ' ALA . 1.2 mp -60.05 -57.32 12.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.499 ' N ' HG22 ' A' ' 29' ' ' ILE . 74.3 m-20 -62.99 -29.63 70.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -58.21 -51.61 69.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 110.325 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.613 ' CD1' ' C ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -79.15 -25.31 42.87 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.107 . . . . 0.0 110.995 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.853 HD21 HD21 ' A' ' 11' ' ' LEU . 2.6 tp -58.88 -49.42 77.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 0.0 109.307 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 5.9 mtp -79.05 -19.78 50.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 111.019 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -80.14 -38.75 17.77 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.516 1.135 . . . . 0.0 110.936 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -82.36 -37.05 26.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 0.766 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.786 ' CZ ' HD12 ' A' ' 11' ' ' LEU . 5.8 m-85 -108.87 107.26 59.91 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -29.64 8.03 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.507 1.793 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -54.4 -39.55 67.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 111.044 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -77.19 -36.07 55.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 110.982 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -80.98 4.67 18.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -118.27 -40.42 0.68 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.589 1.181 . . . . 0.0 110.963 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.9 m -69.81 -75.73 0.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 0.756 . . . . 0.0 110.005 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.557 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 1.8 p90 -170.1 123.37 0.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 111.012 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 71.7 p -91.23 33.14 0.98 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 110.366 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -100.37 42.43 1.96 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.469 1.106 . . . . 0.0 110.955 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.406 ' CD1' ' O ' ' A' ' 44' ' ' TYR . 2.3 p-90 -124.16 3.72 8.57 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 15.1 ttm180 -50.17 -36.44 30.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.439 ' H ' ' ND2' ' A' ' 49' ' ' ASN . 2.9 p30 -80.14 -51.0 9.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 82.3 p -53.89 -44.8 70.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.989 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.544 ' CG2' HD11 ' A' ' 12' ' ' ILE . 0.9 OUTLIER -68.94 -55.29 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.528 ' HG3' ' CZ2' ' A' ' 78' ' ' TRP . 10.3 ttm105 -48.03 -29.79 3.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.314 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -76.09 -52.65 9.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.616 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.416 ' O ' ' HB2' ' A' ' 58' ' ' ASN . 0.7 OUTLIER -66.3 -17.63 64.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.123 . . . . 0.0 109.264 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.96 HD12 HD11 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -80.17 -48.63 12.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.42 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -64.99 -42.47 94.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.996 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.948 ' O ' HD12 ' A' ' 57' ' ' LEU . 0.4 OUTLIER -80.78 1.44 30.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.416 ' HB2' ' O ' ' A' ' 54' ' ' ASN . 0.8 OUTLIER -80.62 -72.55 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.506 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 1.6 m-20 -80.89 -36.63 30.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.5 OUTLIER 88.2 57.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 108.325 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.597 ' CE1' ' CE3' ' A' ' 78' ' ' TRP . 1.0 OUTLIER -119.23 -167.71 1.45 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.5 ' CG1' ' SD ' ' A' ' 79' ' ' MET . 5.3 p -119.17 146.21 24.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.468 ' HA ' ' HA ' ' A' ' 78' ' ' TRP . 0.0 OUTLIER -118.96 163.06 17.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.337 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.591 HG22 ' O ' ' A' ' 64' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -122.51 142.2 50.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.969 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.863 ' CZ3' HD13 ' A' ' 55' ' ' LEU . 12.0 m0 -118.46 140.42 49.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.128 . . . . 0.0 107.97 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.5 ' SD ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -119.22 102.84 9.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.976 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.773 HD22 HD11 ' A' ' 16' ' ' ILE . 1.0 OUTLIER -121.15 137.29 54.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.346 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 38.7 p-10 -142.22 157.95 62.26 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.133 0 O-C-N 124.479 1.779 . . . . 0.0 111.012 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.483 0.182 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.0 pt -56.9 -30.99 34.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.26 -51.55 43.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.102 . . . . 0.0 109.276 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.696 ' C ' HD12 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -54.03 -48.99 69.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 1.003 HD11 HG13 ' A' ' 51' ' ' VAL . 1.0 OUTLIER -62.58 -43.88 98.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.5 m -53.48 -47.68 69.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.346 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.451 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 5.3 ptt? -76.12 -18.23 59.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 111.047 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.513 ' HB1' HG13 ' A' ' 29' ' ' ILE . . . -76.34 -49.04 17.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.86 ' HA ' HD13 ' A' ' 24' ' ' LEU . 15.2 mm -73.58 -31.95 34.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.59 -15.88 8.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 110.282 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.492 ' HB2' HD11 ' A' ' 29' ' ' ILE . 32.7 t70 -58.15 -26.23 62.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.437 ' OG ' ' CB ' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -83.8 -149.63 0.1 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 109.967 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -166.25 30.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 85.58 43.24 6.57 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -142.44 -72.97 0.03 OUTLIER Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.48 ' HA ' ' HA ' ' A' ' 79' ' ' MET . 3.8 ppt_? -161.56 159.32 27.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 0.763 . . . . 0.0 110.302 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.86 HD13 ' HA ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -151.62 158.35 43.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.715 HG22 ' HB3' ' A' ' 77' ' ' TYR . 80.7 p -108.19 110.16 21.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.375 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.911 HD11 HD22 ' A' ' 55' ' ' LEU . 3.6 mm? -59.47 -32.46 70.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.05 -52.75 64.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.25 -45.68 87.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.678 HG12 HD11 ' A' ' 24' ' ' LEU . 0.6 OUTLIER -55.54 -30.58 26.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -72.22 -54.43 9.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -61.1 -25.39 66.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -80.69 -49.83 10.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.912 HD13 ' N ' ' A' ' 34' ' ' MET . 0.0 OUTLIER -59.58 -39.03 82.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.912 ' N ' HD13 ' A' ' 33' ' ' LEU . 13.9 mtt -65.33 -49.2 70.32 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.529 1.143 . . . . 0.0 111.018 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.2 -8.41 50.07 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.528 1.142 . . . . 0.0 111.012 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.64 -23.71 12.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 0.767 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.429 ' CE1' ' HE2' ' A' ' 14' ' ' MET . 8.3 m-85 -125.04 96.74 39.31 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 110.998 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -32.99 5.01 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.497 1.788 . . . . 0.0 111.037 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -62.69 -33.3 74.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.738 ' CE2' ' CD2' ' A' ' 47' ' ' TRP . 1.0 OUTLIER -75.01 -26.82 59.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 111.004 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 39.6 ttt-85 -88.47 17.35 5.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.298 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -143.44 53.94 0.59 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.48 1.113 . . . . 0.0 111.041 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.6 m -155.41 -71.47 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 0.767 . . . . 0.0 110.014 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.566 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 5.1 p90 -163.99 105.99 0.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 58.6 p -74.38 57.61 0.71 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.338 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -138.58 25.95 2.81 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.5 1.125 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.738 ' CD2' ' CE2' ' A' ' 40' ' ' PHE . 0.9 OUTLIER -100.28 -4.31 29.58 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.45 ' HG3' ' CZ3' ' A' ' 47' ' ' TRP . 11.1 mtp180 -60.08 -29.94 68.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 110.31 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -74.42 -54.86 6.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 19.7 m -63.95 -36.3 83.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.009 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 1.003 HG13 HD11 ' A' ' 12' ' ' ILE . 10.7 t -64.67 -56.85 13.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.57 ' HG2' ' CH2' ' A' ' 78' ' ' TRP . 41.8 mtm180 -55.3 -44.7 76.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.117 . . . . 0.0 110.346 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.403 ' O ' HD23 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -55.21 -55.49 30.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.592 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -65.73 -22.46 66.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.911 HD22 HD11 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -61.9 -50.91 70.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.574 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -81.23 -26.72 35.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.008 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.403 HD23 ' O ' ' A' ' 53' ' ' HIS . 4.1 mm? -80.81 1.07 32.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 20.9 t30 -106.82 -74.16 0.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.554 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 0.3 OUTLIER -66.47 -53.5 34.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.26 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.543 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 1.2 t 91.3 65.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 108.27 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.574 ' CE1' ' HA ' ' A' ' 56' ' ' SER . 0.2 OUTLIER -119.12 -166.19 1.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.982 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -117.02 165.06 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.527 ' HE2' ' CE2' ' A' ' 78' ' ' TRP . 26.4 ttmt -119.33 150.66 39.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.425 ' N ' ' HG2' ' A' ' 63' ' ' LYS . 44.2 t . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.641 ' N ' HD21 ' A' ' 76' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.715 ' HB3' HG22 ' A' ' 25' ' ' THR . 5.4 p90 -120.65 156.57 31.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 111.053 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.722 ' CG ' HD23 ' A' ' 26' ' ' LEU . 13.6 m0 -113.12 157.78 21.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.14 . . . . 0.0 107.991 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.48 ' HA ' ' HA ' ' A' ' 23' ' ' ARG . 2.9 mtp -119.36 110.62 17.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 111.052 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.553 HD13 ' CG2' ' A' ' 16' ' ' ILE . 0.6 OUTLIER -118.92 141.41 48.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 -145.43 157.91 51.69 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.202 0 O-C-N 124.466 1.772 . . . . 0.0 111.0 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.479 0.18 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.4 pp -54.61 -37.74 40.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.89 -42.37 94.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.724 ' C ' HD12 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -57.07 -51.25 70.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.921 ' CD1' HD12 ' A' ' 55' ' ' LEU . 9.2 mm -56.02 -49.72 73.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.353 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.433 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 19.2 m -48.69 -53.22 19.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 110.433 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.46 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 8.2 ptt? -72.14 -13.57 61.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 111.024 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 12' ' ' ILE . . . -79.62 -45.61 18.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.923 HD11 ' CG ' ' A' ' 55' ' ' LEU . 9.6 mm -80.59 -20.86 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.433 ' HB2' ' O ' ' A' ' 13' ' ' THR . 0.1 OUTLIER -64.01 -10.03 19.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 110.302 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.477 ' CB ' HD11 ' A' ' 29' ' ' ILE . 6.7 t70 -63.19 -33.17 74.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.406 ' OG ' ' N ' ' A' ' 20' ' ' ALA . 10.5 p -84.3 -144.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.128 . . . . 0.0 109.971 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.406 ' N ' ' OG ' ' A' ' 19' ' ' SER . . . -167.86 31.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 84.96 43.23 6.81 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.496 1.122 . . . . 0.0 110.969 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 80' ' ' LEU . . . -143.89 -70.37 0.02 OUTLIER Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.8 ptt85 -161.32 159.64 28.73 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.511 0.771 . . . . 0.0 110.258 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.756 HD13 ' HA ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -158.0 162.89 38.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.637 HG22 ' HB3' ' A' ' 77' ' ' TYR . 65.3 p -109.68 120.19 41.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 110.414 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.876 HD11 HD22 ' A' ' 55' ' ' LEU . 3.0 mm? -71.97 -25.38 61.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.61 -57.93 7.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.57 -39.17 92.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 110.311 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.508 HG22 ' N ' ' A' ' 30' ' ' ASN . 1.2 mp -59.23 -57.14 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.508 ' N ' HG22 ' A' ' 29' ' ' ILE . 60.2 m-20 -49.68 -43.01 46.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -70.3 -24.02 62.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.309 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.407 ' N ' ' O ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -80.97 -37.76 28.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.984 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 1.01 HD13 ' N ' ' A' ' 34' ' ' MET . 0.0 OUTLIER -69.1 -43.82 73.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' MET . . . . . 1.01 ' N ' HD13 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -62.41 -44.06 97.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.998 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.64 -5.13 67.69 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -106.01 -36.64 6.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 0.784 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.702 ' CD2' ' CD2' ' A' ' 33' ' ' LEU . 9.9 m-30 -103.51 106.74 53.39 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.408 ' HA ' ' HG2' ' A' ' 41' ' ' ARG . 18.1 Cg_endo -75.06 -19.34 17.82 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.476 1.777 . . . . 0.0 110.951 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -78.07 -28.26 48.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.768 ' CD2' ' CZ2' ' A' ' 47' ' ' TRP . 0.0 OUTLIER -78.74 -33.8 46.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.408 ' HG2' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -86.46 11.59 12.18 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.475 1.109 . . . . 0.0 110.264 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -128.14 24.74 5.01 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.48 1.112 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 69.8 m -138.25 -76.81 0.38 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 0.791 . . . . 0.0 110.011 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.554 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 1.9 p90 -168.33 118.51 0.77 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.562 ' O ' HG23 ' A' ' 45' ' ' THR . 9.6 t -85.75 60.55 6.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.14 . . . . 0.0 110.374 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -137.36 41.73 1.37 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.768 ' CZ2' ' CD2' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -115.48 13.95 16.56 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 15.5 ttt-85 -61.22 -25.75 67.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 31.5 t-20 -73.5 -53.37 10.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.413 1.071 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.4 -26.93 62.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.995 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 47' ' ' TRP . 4.5 t -73.13 -59.49 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.419 ' HG3' ' N ' ' A' ' 53' ' ' HIS . 0.8 OUTLIER -57.9 -33.73 69.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 110.339 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.419 ' N ' ' HG3' ' A' ' 52' ' ' ARG . 20.2 t60 -64.41 -55.62 19.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.602 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.455 ' O ' ' N ' ' A' ' 58' ' ' ASN . 1.2 t30 -64.34 -31.29 72.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.923 ' CG ' HD11 ' A' ' 16' ' ' ILE . 0.4 OUTLIER -57.2 -48.68 78.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.571 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 1.6 t -77.55 -33.44 54.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.027 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.6 mp -80.85 0.97 32.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 54' ' ' ASN . 2.5 m-20 -96.46 -92.26 0.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.562 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 0.4 OUTLIER -53.67 -46.33 70.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.5 OUTLIER 88.82 62.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 108.301 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.589 ' HE2' HG21 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -119.22 -164.74 1.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 111.009 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 76.1 t -115.86 158.33 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.273 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.566 ' HB2' ' CD1' ' A' ' 78' ' ' TRP . 0.0 OUTLIER -119.05 160.39 22.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 99.0 t . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 179.994 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 48.2 p-10 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.637 ' HB3' HG22 ' A' ' 25' ' ' THR . 2.5 p90 -137.0 159.46 41.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 110.995 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.751 ' CZ3' HD23 ' A' ' 55' ' ' LEU . 27.3 m0 -114.71 165.46 12.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 107.984 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 11.2 ttm -124.16 109.45 13.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.494 ' CB ' ' HB3' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -118.21 150.74 38.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 109.298 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -166.92 140.82 3.15 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.15 0 O-C-N 124.529 1.805 . . . . 0.0 111.013 -179.974 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.499 0.19 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 13.7 tt -67.94 -47.5 78.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 109.332 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.07 -38.4 88.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.937 HD21 HD21 ' A' ' 33' ' ' LEU . 2.6 tp -59.17 -53.35 59.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 1.051 ' O ' HG22 ' A' ' 16' ' ' ILE . 1.1 mp -63.6 -36.15 75.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.3 m -59.15 -50.79 72.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.408 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.731 ' CE ' HD12 ' A' ' 11' ' ' LEU . 6.1 ptt? -69.52 -25.54 64.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.855 ' HB1' HG23 ' A' ' 29' ' ' ILE . . . -71.9 -58.38 3.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 1.051 HG22 ' O ' ' A' ' 12' ' ' ILE . 0.5 OUTLIER -67.9 -25.14 31.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.69 -14.7 6.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.098 . . . . 0.0 110.293 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -53.9 -19.95 5.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.451 ' OG ' ' N ' ' A' ' 20' ' ' ALA . 5.4 p -88.35 -146.12 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.953 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.451 ' N ' ' OG ' ' A' ' 19' ' ' SER . . . -168.84 36.41 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.0 44.84 7.94 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.47 1.106 . . . . 0.0 111.037 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 80' ' ' LEU . . . -147.08 -67.96 0.01 OUTLIER Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.07 144.69 13.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.566 0.803 . . . . 0.0 110.287 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 1.05 ' O ' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -138.18 148.29 44.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.273 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.626 ' N ' HD22 ' A' ' 24' ' ' LEU . 6.6 p -99.32 116.76 32.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.431 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.773 HD22 HD21 ' A' ' 24' ' ' LEU . 1.2 mm? -74.22 -22.89 59.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.24 -52.61 64.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.09 -40.18 71.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.855 HG23 ' HB1' ' A' ' 15' ' ' ALA . 1.2 mp -55.31 -52.34 46.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -70.54 -29.2 65.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -57.67 -49.19 77.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.946 ' CE1' HD12 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -78.72 -29.43 45.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.946 HD12 ' CE1' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -58.11 -52.19 66.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 10.6 ttt -70.74 -25.76 63.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -78.82 -27.82 55.9 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.48 -29.89 16.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 0.794 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.448 ' CE2' ' CD1' ' A' ' 11' ' ' LEU . 9.7 m-85 -133.3 87.07 39.46 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.973 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -55.16 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.55 1.816 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.431 ' CD1' ' N ' ' A' ' 40' ' ' PHE . 18.5 p90 -59.94 -25.89 65.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.601 ' CE1' ' OH ' ' A' ' 44' ' ' TYR . 1.9 t80 -71.61 -16.07 62.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.967 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.564 ' HD2' ' CE3' ' A' ' 47' ' ' TRP . 3.8 ttt180 -98.84 29.56 3.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.324 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -154.1 60.37 0.39 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.2 m -139.34 -66.4 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 0.0 109.995 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.601 ' OH ' ' CE1' ' A' ' 40' ' ' PHE . 6.1 p90 -116.77 146.19 42.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 42.3 m -82.8 48.68 1.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.415 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -150.59 70.53 0.31 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.679 ' O ' HG23 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -101.69 -82.45 0.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.8 ttm-85 -52.07 -26.34 10.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.312 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -73.53 -52.54 13.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.309 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 52.3 p -71.98 -25.8 62.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.021 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.88 HG13 HD11 ' A' ' 12' ' ' ILE . 50.3 t -68.63 -56.68 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.548 ' HG3' ' CH2' ' A' ' 78' ' ' TRP . 1.1 ttt180 -63.82 -33.57 75.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.284 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.801 ' O ' HD12 ' A' ' 57' ' ' LEU . 1.6 m-70 -62.06 -57.44 11.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 109.582 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -66.99 -31.95 72.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.347 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.909 HD13 ' CZ3' ' A' ' 78' ' ' TRP . 4.7 mt -58.74 -55.21 38.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.414 ' O ' ' HA ' ' A' ' 60' ' ' CYS . 0.0 OUTLIER -74.77 -29.49 61.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.008 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.801 HD12 ' O ' ' A' ' 53' ' ' HIS . 5.2 mt -80.89 1.03 32.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.409 ' OD1' ' C ' ' A' ' 58' ' ' ASN . 12.8 t-20 -95.42 -88.98 0.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 0.9 OUTLIER -81.08 -38.15 27.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.5 OUTLIER 88.06 84.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 108.317 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.612 ' CZ ' ' O ' ' A' ' 55' ' ' LEU . 0.7 OUTLIER -127.09 -167.19 1.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.992 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.8 p -117.77 162.87 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.567 ' HG3' ' CD1' ' A' ' 78' ' ' TRP . 1.0 OUTLIER -119.05 146.41 45.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.553 HG12 ' O ' ' A' ' 77' ' ' TYR . 7.6 p . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 14.6 p30 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.553 ' O ' HG12 ' A' ' 64' ' ' VAL . 4.1 p90 -150.43 165.32 33.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.909 ' CZ3' HD13 ' A' ' 55' ' ' LEU . 30.1 m0 -116.83 161.08 19.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 107.998 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.403 ' O ' ' HB2' ' A' ' 61' ' ' PHE . 2.2 ttp -115.95 121.49 42.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 111.055 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.73 HD13 HD11 ' A' ' 16' ' ' ILE . 1.6 pt? -129.5 135.51 48.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -152.25 107.28 2.79 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.153 0 O-C-N 124.448 1.762 . . . . 0.0 111.009 179.998 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.526 ' CE2' ' OH ' ' A' ' 44' ' ' TYR . 16.2 m-85 . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.526 0.203 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.2 pp -50.47 -27.84 4.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.02 -46.98 40.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.765 ' C ' HD12 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -54.8 -36.21 64.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.999 ' O ' HG22 ' A' ' 16' ' ' ILE . 1.0 OUTLIER -72.93 -46.22 52.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.345 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.514 ' O ' ' CG ' ' A' ' 17' ' ' ARG . 15.1 m -55.03 -45.61 75.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 110.418 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.42 ' HG3' ' N ' ' A' ' 15' ' ' ALA . 11.3 ptt? -71.12 -34.24 70.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.166 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.727 ' HB1' ' CG2' ' A' ' 29' ' ' ILE . . . -66.09 -62.3 1.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.999 HG22 ' O ' ' A' ' 12' ' ' ILE . 2.7 tp -60.96 -29.43 45.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.273 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.514 ' CG ' ' O ' ' A' ' 13' ' ' THR . 0.0 OUTLIER -55.84 -19.45 11.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.324 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.537 ' HB3' HD12 ' A' ' 24' ' ' LEU . 30.6 t0 -50.18 -33.48 19.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.247 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 60.1 p -85.14 -143.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.02 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -170.25 33.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.359 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 84.45 44.18 6.64 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.453 1.096 . . . . 0.0 110.981 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 80' ' ' LEU . . . -139.39 -72.84 0.05 OUTLIER Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -162.94 154.41 17.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 0.794 . . . . 0.0 110.294 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.948 HD21 HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -161.27 154.57 21.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 109.331 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.448 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 4.3 p -102.34 97.71 7.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.366 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 1.014 HD11 ' CD1' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -49.75 -33.37 16.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.57 -50.49 69.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.252 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -64.99 -32.99 74.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 0.0 110.29 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.727 ' CG2' ' HB1' ' A' ' 15' ' ' ALA . 1.2 mp -67.8 -35.52 72.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -70.95 -39.07 72.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -69.85 -30.1 67.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.329 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.522 ' CG ' ' N ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -80.64 -54.57 5.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 111.012 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.988 HD13 ' N ' ' A' ' 34' ' ' MET . 0.0 OUTLIER -53.71 -44.94 70.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.142 . . . . 0.0 109.299 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.988 ' N ' HD13 ' A' ' 33' ' ' LEU . 9.3 ttp -69.0 -43.21 75.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -59.76 -27.58 64.36 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.502 1.126 . . . . 0.0 111.0 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.09 -56.5 3.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 0.744 . . . . 0.0 109.328 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.589 ' CD1' HD22 ' A' ' 33' ' ' LEU . 13.5 m-85 -69.76 114.32 23.86 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 111.047 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 -37.73 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.45 1.763 . . . . 0.0 110.978 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -62.9 -30.87 71.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -77.3 -20.69 54.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 111.036 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.2 ttt-85 -90.97 29.19 1.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -121.35 -63.94 0.24 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.473 1.108 . . . . 0.0 111.022 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 45' ' ' THR . 1.3 m -134.65 -64.82 0.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 0.74 . . . . 0.0 109.965 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.526 ' OH ' ' CE2' ' A' ' 8' ' ' TYR . 3.5 t80 -38.38 96.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.428 ' N ' ' O ' ' A' ' 43' ' ' SER . 3.3 m -134.6 -42.81 0.76 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.412 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -74.19 57.07 2.35 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.523 1.14 . . . . 0.0 110.971 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.691 ' CE3' HG21 ' A' ' 51' ' ' VAL . 6.0 p-90 -125.67 4.77 7.48 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.507 ' O ' ' CG ' ' A' ' 52' ' ' ARG . 2.4 ttm180 -60.38 -29.8 69.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.277 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.409 ' O ' ' HG3' ' A' ' 52' ' ' ARG . 11.8 m120 -72.71 -49.28 32.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.7 t -69.43 -38.1 77.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.991 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.775 HG13 HD11 ' A' ' 12' ' ' ILE . 2.9 t -68.88 -61.63 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.507 ' CG ' ' O ' ' A' ' 48' ' ' ARG . 0.3 OUTLIER -52.8 -32.04 41.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.278 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.509 ' O ' ' CB ' ' A' ' 57' ' ' LEU . 2.1 t-80 -70.32 -48.36 56.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.609 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -74.31 -9.44 58.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.123 . . . . 0.0 109.277 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 1.014 ' CD1' HD11 ' A' ' 26' ' ' LEU . 0.4 OUTLIER -82.27 -53.83 5.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.565 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -81.37 -13.09 58.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.986 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.509 ' CB ' ' O ' ' A' ' 53' ' ' HIS . 2.1 tp -81.13 -29.98 34.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -89.51 -77.36 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.648 ' HB3' ' CD2' ' A' ' 61' ' ' PHE . 0.6 OUTLIER -44.96 -42.87 8.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.6 m 68.48 55.97 0.48 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 108.333 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.667 ' HZ ' HD22 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -118.75 -165.94 1.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 111.022 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 50.1 t -119.33 158.55 20.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 78' ' ' TRP . 2.8 ptpt -130.55 173.68 10.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.48 HG22 ' O ' ' A' ' 77' ' ' TYR . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.404 ' O ' ' HA ' ' A' ' 25' ' ' THR . 3.8 t-20 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.48 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.2 OUTLIER -119.16 131.95 55.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 111.032 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.799 ' CD2' HD23 ' A' ' 26' ' ' LEU . 15.2 m0 -116.96 141.65 47.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 107.993 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.628 ' O ' ' HE2' ' A' ' 79' ' ' MET . 0.1 OUTLIER -119.01 108.46 14.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.802 HD22 HD11 ' A' ' 16' ' ' ILE . 0.8 OUTLIER -120.42 154.2 35.48 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.5 ' ND2' ' HD2' ' A' ' 82' ' ' PRO . 7.0 t-20 -172.68 144.5 1.29 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.5 ' HD2' ' ND2' ' A' ' 81' ' ' ASN . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.165 0 O-C-N 124.501 1.79 . . . . 0.0 110.951 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.479 ' HA ' HD23 ' A' ' 11' ' ' LEU . 17.3 m-85 . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.532 0.206 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.3 pt -57.62 -37.54 59.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.27 -56.1 12.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.767 HD13 HD23 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -48.19 -38.83 19.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.348 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 1.106 HD11 HG13 ' A' ' 51' ' ' VAL . 16.9 mm -67.8 -47.54 79.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.09 . . . . 0.0 109.327 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.4 m -53.68 -50.69 65.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.357 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.563 ' HE2' ' CE1' ' A' ' 37' ' ' PHE . 2.1 ptt? -74.28 -20.63 60.08 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.451 1.095 . . . . 0.0 111.005 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.537 ' HB2' ' O ' ' A' ' 11' ' ' LEU . . . -69.34 -53.1 21.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.856 HD11 ' CG ' ' A' ' 55' ' ' LEU . 5.7 mm -73.43 -29.46 27.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.157 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.11 -21.68 0.79 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.31 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.403 ' N ' ' C ' ' A' ' 16' ' ' ILE . 10.4 t0 -52.98 -30.5 35.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.1 p -91.87 -146.03 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.001 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -170.08 32.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 80' ' ' LEU . . . 85.47 43.16 6.64 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.568 1.167 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 80' ' ' LEU . . . -140.56 -69.39 0.04 OUTLIER Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.39 159.92 28.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 0.756 . . . . 0.0 110.335 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.649 HD13 ' HA ' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -155.32 157.87 37.85 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.409 ' HA ' ' HA ' ' A' ' 77' ' ' TYR . 0.3 OUTLIER -110.9 98.3 7.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 110.426 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.809 HD11 ' CD2' ' A' ' 55' ' ' LEU . 3.2 mm? -51.54 -30.8 21.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.39 -53.35 53.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -73.27 -38.49 65.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.282 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.648 ' CG1' HD12 ' A' ' 24' ' ' LEU . 1.1 mp -60.49 -39.23 80.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 58.0 m-20 -73.68 -36.65 65.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.142 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -57.88 -42.49 84.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.347 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.715 ' CD1' ' C ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -81.05 -41.77 22.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.959 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.906 ' O ' HD22 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -49.01 -42.7 39.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.574 1.171 . . . . 0.0 109.307 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.866 ' N ' HD13 ' A' ' 33' ' ' LEU . 19.4 ttp -77.32 -46.1 24.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -59.47 -18.57 44.43 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.522 1.139 . . . . 0.0 110.958 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.58 -28.27 13.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 0.764 . . . . 0.0 109.332 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.563 ' CE1' ' HE2' ' A' ' 14' ' ' MET . 3.7 m-85 -105.67 107.95 60.46 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -37.65 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.55 1.816 . . . . 0.0 111.033 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -57.2 -35.16 69.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 110.954 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.755 ' CE2' ' CE2' ' A' ' 47' ' ' TRP . 0.0 OUTLIER -80.42 -23.72 40.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 -89.18 8.39 30.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -139.76 51.45 0.74 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.53 1.144 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 54.8 m -156.45 -82.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 0.734 . . . . 0.0 109.967 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.552 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 2.2 p90 -159.19 119.97 3.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 111.035 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.512 HG22 ' O ' ' A' ' 45' ' ' THR . 19.7 m -86.37 57.91 4.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 110.409 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -137.36 50.12 0.83 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.496 1.122 . . . . 0.0 110.959 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.755 ' CE2' ' CE2' ' A' ' 40' ' ' PHE . 0.6 OUTLIER -125.79 9.42 7.61 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.88 -40.86 85.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -73.14 -50.75 20.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 29.7 t -59.48 -55.0 40.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 110.007 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 1.106 HG13 HD11 ' A' ' 12' ' ' ILE . 51.6 t -54.22 -46.84 68.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.569 ' HG2' ' CH2' ' A' ' 78' ' ' TRP . 50.8 mtt180 -57.43 -42.52 82.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -56.81 -58.2 9.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.613 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.489 ' O ' ' N ' ' A' ' 58' ' ' ASN . 1.8 t-20 -61.2 -37.51 83.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.989 HD12 HD12 ' A' ' 12' ' ' ILE . 0.8 OUTLIER -48.34 -50.28 30.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.576 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 1.1 t -81.37 -28.57 34.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.994 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.9 mp -80.81 3.48 22.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 0.0 109.326 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.489 ' N ' ' O ' ' A' ' 54' ' ' ASN . 29.6 t-20 -106.14 -67.67 0.92 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.572 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -75.6 -48.07 23.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.341 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.475 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.1 OUTLIER 85.72 64.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 108.288 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.599 ' CD2' ' HB3' ' A' ' 80' ' ' LEU . 0.2 OUTLIER -119.33 -163.26 0.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 111.01 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.42 ' O ' ' HB3' ' A' ' 78' ' ' TRP . 98.0 t -115.2 149.86 17.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.605 ' HB2' ' CD1' ' A' ' 78' ' ' TRP . 0.0 OUTLIER -117.6 150.5 38.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.601 HG12 ' O ' ' A' ' 77' ' ' TYR . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.601 ' O ' HG12 ' A' ' 64' ' ' VAL . 2.7 p90 -150.51 160.16 43.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.973 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.715 ' CZ3' HD23 ' A' ' 55' ' ' LEU . 21.4 m0 -115.28 164.65 13.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 107.999 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -119.94 112.05 18.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.599 ' HB3' ' CD2' ' A' ' 61' ' ' PHE . 0.8 OUTLIER -118.67 151.11 38.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.08 . . . . 0.0 109.302 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 13.4 p-10 -156.18 157.48 31.21 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.546 1.814 . . . . 0.0 110.99 -179.985 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.444 ' HH ' ' HZ ' ' A' ' 40' ' ' PHE . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.466 0.174 . . . . 0.0 110.997 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 65.0 mt -61.63 -53.85 42.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.346 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.11 -32.48 71.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.249 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.808 HD21 HD21 ' A' ' 33' ' ' LEU . 0.8 OUTLIER -59.7 -50.67 72.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 109.288 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.821 HD11 HG22 ' A' ' 51' ' ' VAL . 0.6 OUTLIER -62.56 -40.5 88.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.424 ' OG1' ' ND2' ' A' ' 58' ' ' ASN . 51.7 m -56.28 -54.12 49.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.411 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.43 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 6.4 ptt? -65.48 -26.59 68.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 111.019 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.774 ' HB1' HG12 ' A' ' 29' ' ' ILE . . . -66.82 -52.7 40.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.891 ' HB ' HD21 ' A' ' 55' ' ' LEU . 0.7 OUTLIER -76.32 -20.11 15.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 109.307 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.56 -9.97 22.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.59 ' HB3' HD12 ' A' ' 24' ' ' LEU . 2.0 t0 -75.9 -4.86 43.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.743 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 1.1 p -70.05 -50.73 38.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.973 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.743 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 90.34 43.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 54.11 55.17 27.51 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.477 1.111 . . . . 0.0 111.042 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -163.34 -76.96 0.03 OUTLIER Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.437 ' HA ' ' O ' ' A' ' 78' ' ' TRP . 0.0 OUTLIER -162.5 160.66 26.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 0.766 . . . . 0.0 110.318 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.59 HD12 ' HB3' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -160.12 159.69 32.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.271 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.47 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 4.0 p -104.51 105.64 15.83 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.457 1.098 . . . . 0.0 110.427 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.714 HD23 ' CD2' ' A' ' 78' ' ' TRP . 0.6 OUTLIER -46.52 -29.09 1.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.8 -45.44 67.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.98 -27.71 63.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.578 1.174 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.774 HG12 ' HB1' ' A' ' 15' ' ' ALA . 1.1 mt -62.21 -59.06 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.478 ' N ' HG22 ' A' ' 29' ' ' ILE . 70.9 m-20 -66.32 -29.01 69.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.347 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -57.47 -50.15 73.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 110.296 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.621 ' CE1' HD12 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -80.49 -24.34 39.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.948 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.808 HD21 HD21 ' A' ' 11' ' ' LEU . 2.1 tp -64.01 -52.58 58.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.2 mtp -73.99 -30.29 62.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 111.014 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -80.13 -17.42 74.37 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.523 1.14 . . . . 0.0 111.012 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.493 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 5.6 tttp -103.02 -49.59 3.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 0.775 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -98.68 109.29 52.67 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 111.032 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -39.74 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.514 1.797 . . . . 0.0 110.975 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -52.62 -36.19 55.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.76 ' CE2' ' CE2' ' A' ' 47' ' ' TRP . 0.1 OUTLIER -74.08 -36.2 64.28 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.128 . . . . 0.0 111.009 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.4 ttt-85 -80.61 2.18 26.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.277 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -125.52 43.78 1.33 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.526 1.141 . . . . 0.0 110.968 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.4 m -152.14 -75.13 0.14 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.464 0.744 . . . . 0.0 110.011 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.562 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 1.7 p90 -173.12 115.43 0.26 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 111.043 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 74.6 p -86.79 50.75 2.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.407 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -126.72 39.59 1.95 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.493 1.121 . . . . 0.0 110.943 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.76 ' CE2' ' CE2' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -109.82 9.47 24.68 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.06 -24.44 39.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.251 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 44.4 m-20 -77.38 -52.76 8.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 109.361 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 87.0 p -68.7 -35.01 76.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.993 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.821 HG22 HD11 ' A' ' 12' ' ' ILE . 2.4 t -66.1 -54.97 21.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.426 ' CG ' ' CH2' ' A' ' 78' ' ' TRP . 1.5 tmm_? -55.78 -40.26 72.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.228 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.418 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 0.2 OUTLIER -60.63 -55.96 26.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.571 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -65.13 -16.65 63.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 1.008 HD13 ' CZ3' ' A' ' 78' ' ' TRP . 0.5 OUTLIER -71.11 -54.43 11.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.9 t -81.06 -21.85 39.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.969 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.418 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 4.5 tp -80.33 0.8 31.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.424 ' ND2' ' OG1' ' A' ' 13' ' ' THR . 59.5 t-20 -123.73 -54.13 1.75 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.147 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.6 ' HB3' ' CD2' ' A' ' 61' ' ' PHE . 0.3 OUTLIER -80.22 -50.22 10.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 34.0 m 75.56 69.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 108.288 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.86 ' CZ ' HD22 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -127.31 -165.46 1.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.989 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 85.1 t -118.74 152.82 20.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.515 ' HD3' ' CE2' ' A' ' 78' ' ' TRP . 2.6 ttpt -120.58 148.13 44.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.527 ' CG2' ' CD2' ' A' ' 77' ' ' TYR . 16.6 m . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.267 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.7 p30 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.621 ' CD1' ' N ' ' A' ' 77' ' ' TYR . 0.4 OUTLIER -129.31 153.26 48.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 1.008 ' CZ3' HD13 ' A' ' 55' ' ' LEU . 13.8 m0 -113.02 153.7 27.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 107.999 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.2 ptm -119.4 108.16 14.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.985 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.586 ' HB3' ' CD2' ' A' ' 61' ' ' PHE . 0.4 OUTLIER -119.5 136.04 54.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.112 . . . . 0.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -145.63 98.5 4.53 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.173 0 O-C-N 124.478 1.778 . . . . 0.0 110.965 179.983 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.68 ' HA ' HD23 ' A' ' 11' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.499 0.19 . . . . 0.0 110.977 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -48.64 -31.7 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.47 -52.23 19.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 109.35 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.75 ' HG ' HD12 ' A' ' 12' ' ' ILE . 0.4 OUTLIER -55.92 -35.83 67.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.9 HD11 ' CG2' ' A' ' 51' ' ' VAL . 1.1 mp -74.26 -36.88 44.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.5 m -61.47 -46.2 91.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.41 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.444 ' CG ' ' OH ' ' A' ' 32' ' ' TYR . 13.2 ptt? -75.61 -29.66 59.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.127 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.7 ' HB1' HG23 ' A' ' 29' ' ' ILE . . . -69.51 -58.48 3.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.895 HD11 HD21 ' A' ' 55' ' ' LEU . 22.1 mm -63.85 -32.69 58.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.46 -22.13 1.11 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.749 ' HB2' HD11 ' A' ' 29' ' ' ILE . 34.5 t0 -48.58 -30.99 5.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.117 . . . . 0.0 109.26 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 59.5 p -91.77 -144.73 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.968 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -173.05 34.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 80' ' ' LEU . . . 85.7 43.09 6.58 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.506 1.129 . . . . 0.0 110.966 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 80' ' ' LEU . . . -142.72 -69.52 0.03 OUTLIER Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.36 158.7 27.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 0.765 . . . . 0.0 110.297 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.863 HD13 ' HA ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -156.17 164.1 38.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.415 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 6.1 p -114.22 111.68 21.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.393 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.761 HD11 HD22 ' A' ' 55' ' ' LEU . 2.2 mm? -63.36 -26.38 68.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.24 -53.32 54.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.412 ' O ' ' HB3' ' A' ' 32' ' ' TYR . 3.7 tm-20 -66.61 -42.37 86.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.749 HD11 ' HB2' ' A' ' 18' ' ' ASP . 1.1 mp -62.68 -30.94 50.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -67.95 -51.73 44.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 0.0 109.298 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -68.15 -23.58 64.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 110.321 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.504 ' CE2' ' HA ' ' A' ' 15' ' ' ALA . 0.2 OUTLIER -80.8 -39.26 27.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.986 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 1.022 HD13 ' N ' ' A' ' 34' ' ' MET . 0.0 OUTLIER -69.24 -46.63 66.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' MET . . . . . 1.022 ' N ' HD13 ' A' ' 33' ' ' LEU . 5.7 ttp -74.39 -31.04 62.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.943 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -79.24 3.96 64.62 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.5 mmtp -115.65 -36.87 4.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 0.771 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.406 ' CB ' ' HB2' ' A' ' 40' ' ' PHE . 10.5 m-30 -98.28 110.52 56.66 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.426 ' HA ' ' HG2' ' A' ' 41' ' ' ARG . 18.2 Cg_endo -74.95 -27.27 10.26 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.501 1.79 . . . . 0.0 110.976 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -74.57 -22.29 59.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 111.022 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.406 ' HB2' ' CB ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -80.32 -38.51 30.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 111.032 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.426 ' HG2' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -79.32 3.27 18.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -123.31 19.2 7.69 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.2 m -126.95 -85.87 0.6 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 0.805 . . . . 0.0 110.038 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.567 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 2.0 p90 -159.35 122.38 3.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.585 HG22 ' O ' ' A' ' 45' ' ' THR . 16.2 m -91.13 53.27 2.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 110.447 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -123.04 41.26 1.82 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.504 1.128 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -118.4 7.24 11.89 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.19 -43.32 67.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -79.36 -51.85 8.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.355 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.52 -46.71 66.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.994 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.9 ' CG2' HD11 ' A' ' 12' ' ' ILE . 1.9 p -66.19 -48.79 80.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.474 ' N ' ' CG1' ' A' ' 51' ' ' VAL . 0.2 OUTLIER -49.18 -39.53 29.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.259 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -67.97 -57.07 6.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.628 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.466 ' O ' ' ND2' ' A' ' 58' ' ' ASN . 3.9 m120 -63.3 -14.66 52.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.895 HD21 HD11 ' A' ' 16' ' ' ILE . 0.6 OUTLIER -81.24 -43.28 19.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.579 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 6.7 p -77.72 -29.36 51.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 0.0 109.965 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.0 mt -81.69 -30.28 32.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.466 ' ND2' ' O ' ' A' ' 54' ' ' ASN . 0.5 OUTLIER -60.1 -86.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.604 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 0.2 OUTLIER -56.24 -54.66 42.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.604 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 4.8 t 98.49 56.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 108.306 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.597 ' CD2' ' HB3' ' A' ' 80' ' ' LEU . 0.2 OUTLIER -119.11 -166.45 1.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 79' ' ' MET . 4.0 m -117.03 169.85 7.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.495 ' HA ' ' HA ' ' A' ' 78' ' ' TRP . 17.1 mttt -118.59 163.22 17.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.494 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 60.4 t . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 64' ' ' VAL . 14.1 t-20 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.545 ' CD1' ' N ' ' A' ' 77' ' ' TYR . 1.7 p90 -140.82 157.74 44.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.97 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.814 ' CZ3' HD23 ' A' ' 55' ' ' LEU . 18.6 m0 -114.46 162.83 16.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 108.037 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.469 ' O ' HG22 ' A' ' 62' ' ' VAL . 12.2 ttm -119.63 114.39 22.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 111.03 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.597 ' HB3' ' CD2' ' A' ' 61' ' ' PHE . 1.2 pt? -119.96 157.33 29.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.245 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 11.1 p-10 -168.56 160.46 8.66 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.177 0 O-C-N 124.532 1.806 . . . . 0.0 110.982 -179.984 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.49 0.186 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.428 HD13 ' N ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -68.82 -15.42 19.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.85 -51.93 9.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.753 ' CD1' HD21 ' A' ' 33' ' ' LEU . 1.1 pp -61.95 -37.99 86.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 1.001 ' O ' HG22 ' A' ' 16' ' ' ILE . 0.7 OUTLIER -68.87 -41.38 82.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.725 HG22 ' HD2' ' A' ' 17' ' ' ARG . 9.3 m -62.53 -50.57 70.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.385 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.523 ' CE ' ' OH ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -74.78 -15.17 60.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.65 ' HB2' ' O ' ' A' ' 11' ' ' LEU . . . -80.24 -55.4 4.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 1.001 HG22 ' O ' ' A' ' 12' ' ' ILE . 0.4 OUTLIER -72.29 -23.17 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.725 ' HD2' HG22 ' A' ' 13' ' ' THR . 12.2 mtt-85 -61.05 -10.19 5.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.577 1.173 . . . . 0.0 110.352 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -80.84 6.43 13.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.685 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 3.9 p -83.46 -39.03 21.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.007 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.685 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 82.99 41.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 48.85 45.98 31.79 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.507 1.129 . . . . 0.0 111.022 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 80' ' ' LEU . . . -149.83 -72.11 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.1 ptt180 -161.05 158.88 28.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 0.779 . . . . 0.0 110.314 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.743 HD21 HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -160.18 160.24 32.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.476 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -102.34 101.73 12.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 110.402 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.861 HD21 ' CD2' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -51.64 -35.22 41.23 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.73 -49.18 65.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 109.295 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.431 ' HB2' HG23 ' A' ' 25' ' ' THR . 0.4 OUTLIER -65.67 -30.97 71.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.344 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.733 ' CD1' HD11 ' A' ' 24' ' ' LEU . 1.3 mp -68.28 -39.24 80.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -63.97 -52.68 58.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -29.83 70.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 110.234 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.523 ' OH ' ' CE ' ' A' ' 14' ' ' MET . 1.3 t80 -77.38 -30.61 53.77 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.487 1.117 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.753 HD21 ' CD1' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -73.54 -52.67 12.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.1 ptm -71.51 -21.62 61.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -79.88 -22.06 64.59 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.525 1.14 . . . . 0.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.99 -59.77 1.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.423 0.72 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -70.02 113.11 15.23 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 111.021 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.407 ' HA ' ' HG2' ' A' ' 41' ' ' ARG . 18.4 Cg_endo -75.01 -32.94 4.95 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.454 1.765 . . . . 0.0 111.006 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -65.47 -31.82 73.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 110.971 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.806 ' CD2' ' CZ2' ' A' ' 47' ' ' TRP . 1.5 m-30 -73.8 -38.17 64.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.407 ' HG2' ' HA ' ' A' ' 38' ' ' PRO . 0.3 OUTLIER -89.94 24.79 2.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.329 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -143.34 -45.42 0.05 OUTLIER Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.522 1.139 . . . . 0.0 111.02 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 26.8 m -69.71 -76.63 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 0.798 . . . . 0.0 109.984 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.548 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 2.6 p90 -168.49 125.74 1.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.962 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.447 HG23 ' CZ2' ' A' ' 47' ' ' TRP . 36.0 m -94.83 39.82 1.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 110.403 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -102.74 46.8 1.18 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.475 1.109 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.806 ' CZ2' ' CD2' ' A' ' 40' ' ' PHE . 0.8 OUTLIER -128.91 17.78 6.18 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.0 -47.34 74.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 110.316 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -79.1 -40.75 30.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.18 -50.76 72.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.04 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.768 HG13 HD11 ' A' ' 12' ' ' ILE . 13.0 t -65.98 -47.68 84.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.402 ' HG2' ' CH2' ' A' ' 78' ' ' TRP . 61.0 mtt180 -53.96 -40.4 66.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.324 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -67.63 -58.35 4.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.606 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.533 ' O ' ' ND2' ' A' ' 58' ' ' ASN . 81.0 m-20 -58.14 -20.99 44.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.96 HD12 HG23 ' A' ' 12' ' ' ILE . 0.8 OUTLIER -78.85 -40.01 33.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 109.328 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.576 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -72.19 -45.08 61.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.003 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.7 pp -79.4 0.82 27.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.533 ' ND2' ' O ' ' A' ' 54' ' ' ASN . 0.6 OUTLIER -77.02 -76.0 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.261 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.54 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 0.2 OUTLIER -82.23 -32.56 29.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.461 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.1 OUTLIER 84.65 61.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 108.289 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.787 ' CZ ' HD13 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -119.32 -165.5 1.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.973 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.454 HG12 ' O ' ' A' ' 79' ' ' MET . 3.5 p -117.52 154.48 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.553 ' HB2' ' CD1' ' A' ' 78' ' ' TRP . 0.5 OUTLIER -119.07 157.32 28.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.261 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 58.3 t . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 -179.983 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.526 ' C ' ' HD1' ' A' ' 78' ' ' TRP . 1.9 p90 -141.79 163.25 33.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.902 ' CZ3' HD23 ' A' ' 55' ' ' LEU . 13.4 m0 -114.59 167.8 10.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 0.0 108.0 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.454 ' O ' HG12 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -126.33 109.53 12.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.087 . . . . 0.0 110.996 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.796 HD22 HD11 ' A' ' 16' ' ' ILE . 0.7 OUTLIER -119.26 148.28 43.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.735 ' C ' HD21 ' A' ' 81' ' ' ASN . 0.3 OUTLIER -153.68 154.35 30.17 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.19 0 O-C-N 124.452 1.764 . . . . 0.0 111.024 -179.996 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 120.474 0.178 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.414 HG23 ' N ' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -56.42 -50.4 72.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.414 ' N ' HG23 ' A' ' 9' ' ' ILE . . . -64.88 -31.47 72.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.587 1.179 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.88 HD11 ' HG ' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -62.75 -42.67 99.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.818 HD13 HD23 ' A' ' 11' ' ' LEU . 4.4 mm -68.29 -64.42 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -42.16 -36.62 1.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.384 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 40.7 ttp -74.91 -36.83 62.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 111.04 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' A' ' 12' ' ' ILE . . . -69.13 -37.63 78.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.108 . . . . 0.0 109.277 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.677 HD11 ' CG ' ' A' ' 55' ' ' LEU . 10.3 mm -78.16 -28.26 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.49 -16.34 3.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 110.286 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -72.76 -26.55 61.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.252 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.928 ' CB ' HD21 ' A' ' 80' ' ' LEU . 0.7 OUTLIER -69.28 -58.37 4.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.016 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.768 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 91.87 45.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 50.6 57.23 10.94 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.553 1.158 . . . . 0.0 110.985 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 80' ' ' LEU . . . -158.02 -74.07 0.02 OUTLIER Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.1 ppt_? -161.21 156.25 23.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 0.754 . . . . 0.0 110.278 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.588 HD21 HG23 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -160.92 170.52 20.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.45 ' HA ' ' HA ' ' A' ' 77' ' ' TYR . 7.5 p -113.59 114.1 26.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.511 1.132 . . . . 0.0 110.373 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.888 HD11 HD22 ' A' ' 55' ' ' LEU . 3.3 mm? -62.65 -28.15 69.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.24 -51.32 68.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -74.2 -36.61 64.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.247 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.582 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 0.6 OUTLIER -56.41 -52.85 47.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.469 ' N ' HG22 ' A' ' 29' ' ' ILE . 62.0 t-20 -70.52 -31.4 68.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -54.69 -45.55 73.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.289 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.734 ' CE1' HD12 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -80.08 -34.1 38.31 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 111.024 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.88 ' HG ' HD11 ' A' ' 11' ' ' LEU . 1.9 tp -52.51 -48.36 66.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -80.59 -33.35 36.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -76.61 -0.99 69.68 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.512 1.132 . . . . 0.0 110.977 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.5 tttt -113.66 -51.1 2.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 0.75 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.801 ' CE1' HD12 ' A' ' 11' ' ' LEU . 38.5 m-85 -83.64 115.76 61.16 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 110.991 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -36.8 2.33 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.476 1.777 . . . . 0.0 110.98 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -62.16 -32.2 72.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 110.997 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 1.8 m-30 -70.91 -45.42 64.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.1 ptt85 -83.35 7.8 15.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.319 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -113.21 -48.97 0.58 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.5 1.125 . . . . 0.0 110.968 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.2 m -70.04 -76.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 0.738 . . . . 0.0 110.002 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.542 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 2.0 p90 -156.88 122.96 4.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.978 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.0 t -89.39 37.95 0.88 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.388 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -114.54 57.7 0.46 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.474 1.109 . . . . 0.0 111.044 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.413 ' O ' HG12 ' A' ' 51' ' ' VAL . 1.2 p-90 -131.25 21.63 4.82 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.8 ttp180 -63.55 -47.28 82.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 56.2 m-20 -74.95 -34.72 62.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.1 t -69.02 -53.63 19.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.163 . . . . 0.0 109.996 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.64 HG23 HD11 ' A' ' 12' ' ' ILE . 4.6 p -57.08 -51.0 74.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.484 ' N ' HG13 ' A' ' 51' ' ' VAL . 0.7 OUTLIER -56.88 -39.62 74.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.27 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.476 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 37.2 t60 -56.54 -57.36 12.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.557 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.5 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 2.5 m-20 -65.19 -28.42 69.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.261 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.888 HD22 HD11 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -55.34 -54.13 47.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.544 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.3 OUTLIER -81.22 -29.05 34.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.992 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.476 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 1.4 tp -80.12 0.73 30.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 9.5 t30 -103.44 -81.44 0.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.609 ' HB3' ' CD2' ' A' ' 61' ' ' PHE . 1.1 t70 -62.83 -53.6 51.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.562 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 4.0 t 92.98 66.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 108.278 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.609 ' CD2' ' HB3' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -119.5 -164.58 1.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.987 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 70.0 t -115.52 153.68 17.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.171 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.608 ' HB3' ' CD1' ' A' ' 78' ' ' TRP . 0.0 OUTLIER -119.22 154.27 33.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.587 ' O ' HG12 ' A' ' 64' ' ' VAL . 13.1 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 109.297 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.452 ' CE1' HG11 ' A' ' 64' ' ' VAL . 1.3 p90 -126.42 160.39 30.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 111.026 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.645 ' CG ' HD23 ' A' ' 26' ' ' LEU . 28.0 m0 -115.18 158.58 22.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 107.991 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -119.91 113.78 21.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 111.027 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.928 HD21 ' CB ' ' A' ' 19' ' ' SER . 1.1 pt? -118.31 159.17 23.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -175.38 133.12 0.46 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.135 0 O-C-N 124.551 1.816 . . . . 0.0 110.983 -179.978 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.464 ' HA ' ' CD2' ' A' ' 11' ' ' LEU . 20.9 m-30 . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.461 0.172 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.1 tt -68.73 -37.14 77.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.341 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.54 -56.93 4.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.325 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 1.02 HD13 HD21 ' A' ' 33' ' ' LEU . 0.7 OUTLIER -50.11 -38.49 38.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.865 HD12 HD12 ' A' ' 55' ' ' LEU . 4.0 mm -65.58 -49.93 74.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.1 m -47.29 -46.75 25.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.391 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.445 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 3.3 ptt? -77.41 -22.94 50.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.993 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.98 -46.56 77.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.719 HD11 ' CD1' ' A' ' 55' ' ' LEU . 2.7 mm -80.38 -32.13 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.63 -23.28 0.64 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.333 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.4 ' N ' ' C ' ' A' ' 16' ' ' ILE . 63.4 t0 -49.68 -38.05 31.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.34 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.2 -145.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.045 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -166.53 30.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 84.43 40.51 8.37 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 80' ' ' LEU . . . -136.11 -71.08 0.06 OUTLIER Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.044 -0.823 . . . . 0.0 111.044 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.02 160.98 31.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 0.76 . . . . 0.0 110.335 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.81 HD12 ' CD1' ' A' ' 29' ' ' ILE . 0.1 OUTLIER -150.11 160.72 43.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.529 HG22 ' HB3' ' A' ' 77' ' ' TYR . 60.3 p -113.34 111.48 22.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.396 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.819 HD11 HD22 ' A' ' 55' ' ' LEU . 4.6 mm? -60.91 -28.48 68.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.72 -53.41 51.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -71.69 -35.39 70.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.282 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.81 ' CD1' HD12 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -59.7 -50.54 79.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.528 ' OD1' ' CZ3' ' A' ' 47' ' ' TRP . 1.3 t30 -68.53 -32.0 71.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -56.14 -49.57 73.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.594 ' CD1' ' C ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -72.93 -34.75 66.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 0.0 110.996 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 1.02 HD21 HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -55.08 -52.06 64.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.1 ttp -73.1 -38.09 66.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.42 -14.81 69.71 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.527 1.142 . . . . 0.0 110.961 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 44.8 tttp -96.83 -56.52 2.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 0.753 . . . . 0.0 109.339 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -71.32 114.36 27.09 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -16.79 19.97 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.558 1.82 . . . . 0.0 111.03 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -89.66 -23.13 21.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.983 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 4.6 m-30 -84.54 -18.63 35.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -88.82 20.75 3.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 110.297 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -115.46 -66.89 0.42 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 45' ' ' THR . 5.4 m -125.99 -56.52 1.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 0.739 . . . . 0.0 109.977 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.51 ' O ' ' NE1' ' A' ' 47' ' ' TRP . 0.3 OUTLIER -59.88 81.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.449 ' N ' ' O ' ' A' ' 43' ' ' SER . 21.2 m -131.15 4.11 4.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.415 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -118.08 42.54 1.8 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.448 1.093 . . . . 0.0 110.987 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.846 ' CE3' HG21 ' A' ' 51' ' ' VAL . 1.7 p-90 -103.72 7.57 37.28 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -55.8 -22.22 23.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.263 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -77.12 -50.75 12.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 68.4 m -73.06 -34.01 66.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.99 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.846 HG21 ' CE3' ' A' ' 47' ' ' TRP . 2.0 t -65.89 -54.82 23.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 55.2 mtm180 -59.13 -42.93 91.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.332 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.49 ' O ' ' CB ' ' A' ' 57' ' ' LEU . 0.2 OUTLIER -55.34 -51.14 67.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.585 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.573 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 2.2 t30 -70.25 -29.36 66.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.865 HD12 HD12 ' A' ' 12' ' ' ILE . 0.3 OUTLIER -54.37 -55.99 23.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.571 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 1.5 t -82.1 -28.32 32.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.965 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.49 ' CB ' ' O ' ' A' ' 53' ' ' HIS . 1.9 tp -80.21 1.7 27.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.573 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 6.4 t-20 -108.6 -79.31 0.58 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.125 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.66 ' HB3' ' CD2' ' A' ' 61' ' ' PHE . 4.0 t70 -61.22 -51.54 68.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.522 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 7.0 m 89.12 66.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 108.28 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.66 ' CD2' ' HB3' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -122.59 -164.56 1.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.96 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.431 ' O ' ' HB3' ' A' ' 78' ' ' TRP . 11.7 t -115.24 149.91 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.614 ' HB2' ' CD1' ' A' ' 78' ' ' TRP . 0.0 OUTLIER -116.59 150.38 38.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.313 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.261 179.986 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.523 ' N ' HD21 ' A' ' 76' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.544 ' CD1' ' N ' ' A' ' 77' ' ' TYR . 2.0 p90 -137.81 157.31 46.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.683 ' CZ3' HD22 ' A' ' 55' ' ' LEU . 27.2 m0 -114.73 163.55 15.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 108.005 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.22 111.94 18.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 111.022 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.712 ' CD2' HD22 ' A' ' 24' ' ' LEU . 0.6 OUTLIER -119.43 145.12 46.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 -155.1 157.96 31.95 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.461 1.769 . . . . 0.0 111.029 179.99 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.435 ' OH ' HG23 ' A' ' 51' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.526 0.203 . . . . 0.0 110.994 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.561 ' H ' HD13 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -64.9 -36.35 77.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.79 -43.75 35.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 1.021 HD21 HD21 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -58.11 -39.25 78.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.916 ' O ' HG22 ' A' ' 16' ' ' ILE . 0.4 OUTLIER -69.32 -60.21 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.339 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.611 ' N ' HG22 ' A' ' 12' ' ' ILE . 3.6 m -48.2 -33.47 8.57 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.462 1.101 . . . . 0.0 110.409 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.475 ' CE ' ' OH ' ' A' ' 32' ' ' TYR . 34.4 ttp -74.35 -42.49 59.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 111.017 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.757 ' HB1' HG23 ' A' ' 29' ' ' ILE . . . -65.56 -51.55 58.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.916 HG22 ' O ' ' A' ' 12' ' ' ILE . 0.4 OUTLIER -66.46 -31.36 53.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.457 ' CG ' ' O ' ' A' ' 13' ' ' THR . 0.0 OUTLIER -53.23 -17.7 1.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.25 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -45.76 -25.81 0.56 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.484 ' HB3' ' CB ' ' A' ' 24' ' ' LEU . 5.1 p -86.52 -145.77 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.024 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.454 ' N ' ' OG ' ' A' ' 19' ' ' SER . . . -171.61 33.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 86.15 44.51 5.93 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.468 1.105 . . . . 0.0 111.023 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 80' ' ' LEU . . . -148.41 -66.98 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.2 ptt85 -161.28 141.08 10.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.608 0.828 . . . . 0.0 110.314 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.954 ' O ' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -135.75 142.55 45.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.811 ' N ' HD22 ' A' ' 24' ' ' LEU . 76.0 p -92.24 114.95 27.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.392 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.789 HD23 ' CD2' ' A' ' 78' ' ' TRP . 0.2 OUTLIER -74.61 -25.92 59.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.94 -48.24 77.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.67 -35.17 72.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.328 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.757 HG23 ' HB1' ' A' ' 15' ' ' ALA . 1.3 mp -61.32 -60.97 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.548 ' N ' HG22 ' A' ' 29' ' ' ILE . 8.9 m120 -61.9 -30.05 70.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -56.96 -51.6 68.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.59 ' CD1' ' C ' ' A' ' 32' ' ' TYR . 0.2 OUTLIER -80.84 -17.32 51.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 111.044 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 1.021 HD21 HD21 ' A' ' 11' ' ' LEU . 2.6 tp -71.37 -49.48 41.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 5.6 ptt? -71.08 -22.75 62.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 110.967 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.59 -43.94 42.17 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.52 1.137 . . . . 0.0 110.993 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.9 mtmt -74.43 -40.25 62.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 0.749 . . . . 0.0 109.238 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.546 ' CE2' ' CD1' ' A' ' 11' ' ' LEU . 4.9 m-85 -121.33 75.85 32.74 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 111.012 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -19.16 18.17 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.48 1.779 . . . . 0.0 110.993 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -90.91 -20.71 21.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 111.021 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.579 ' CE1' ' OH ' ' A' ' 44' ' ' TYR . 4.6 t80 -86.01 -15.29 41.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.515 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 0.0 OUTLIER -98.21 26.8 5.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.315 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -150.79 58.0 0.44 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.469 1.106 . . . . 0.0 110.996 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.66 -71.02 0.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 109.982 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.579 ' OH ' ' CE1' ' A' ' 40' ' ' PHE . 7.5 p90 -110.13 143.08 40.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.158 . . . . 0.0 111.025 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.493 HG22 ' O ' ' A' ' 45' ' ' THR . 30.5 m -77.61 53.87 1.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.45 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -156.55 72.53 0.24 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.515 ' CE2' ' HA ' ' A' ' 41' ' ' ARG . 0.2 OUTLIER -106.65 -75.11 0.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.421 ' O ' ' CB ' ' A' ' 52' ' ' ARG . 11.7 mtm180 -58.48 -29.39 66.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.12 . . . . 0.0 110.289 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -71.27 -54.46 10.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 73.2 m -67.3 -45.36 76.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.988 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.862 HG22 HD11 ' A' ' 12' ' ' ILE . 15.8 t -58.18 -52.21 61.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.421 ' CB ' ' O ' ' A' ' 48' ' ' ARG . 2.3 tmt_? -61.05 -32.2 71.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.304 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.409 ' O ' ' HB3' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -62.82 -56.2 19.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.545 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.569 ' HA ' HD23 ' A' ' 57' ' ' LEU . 1.5 m-80 -67.03 -33.54 75.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.687 ' O ' ' CZ ' ' A' ' 61' ' ' PHE . 3.6 mt -59.42 -46.4 88.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.555 1.159 . . . . 0.0 109.316 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.409 ' O ' ' HA ' ' A' ' 60' ' ' CYS . 10.5 p -76.3 -36.42 58.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.021 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.909 ' O ' HD12 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -81.3 1.98 30.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.444 ' HB3' ' O ' ' A' ' 55' ' ' LEU . 12.2 t-20 -85.34 -94.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.439 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 1.2 m-20 -81.92 -31.74 31.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 0.0 109.342 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.439 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 10.0 m 82.97 86.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 108.303 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.687 ' CZ ' ' O ' ' A' ' 55' ' ' LEU . 0.5 OUTLIER -128.91 -165.52 1.52 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 60.1 t -116.94 155.25 18.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.576 ' HG3' ' CD1' ' A' ' 78' ' ' TRP . 8.7 ttmt -119.64 142.91 48.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.706 HG12 ' O ' ' A' ' 77' ' ' TYR . 9.8 p . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.851 ' N ' HD21 ' A' ' 76' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.706 ' O ' HG12 ' A' ' 64' ' ' VAL . 0.6 OUTLIER -134.7 160.04 39.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.958 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.789 ' CD2' HD23 ' A' ' 26' ' ' LEU . 8.8 m0 -113.8 160.17 19.0 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.0 ttm -118.92 109.42 15.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 111.017 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.629 ' CD2' HD12 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -119.3 137.86 53.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -148.17 157.09 43.19 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.173 0 O-C-N 124.462 1.769 . . . . 0.0 110.993 -179.983 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.458 ' HA ' HD23 ' A' ' 11' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.458 0.17 . . . . 0.0 111.006 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.7 tp -53.49 -34.1 22.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.43 -46.15 56.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.792 HD13 HD11 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -54.83 -37.36 66.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.997 HD11 HG22 ' A' ' 51' ' ' VAL . 45.3 mm -68.42 -57.74 8.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 50.9 m -42.87 -42.63 3.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.404 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.522 ' CE ' ' OH ' ' A' ' 32' ' ' TYR . 9.5 ptt? -80.5 -24.1 39.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 12' ' ' ILE . . . -73.29 -51.29 18.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.873 HG23 ' HG ' ' A' ' 24' ' ' LEU . 1.6 mm -72.92 -34.11 45.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.417 ' HB2' ' HA ' ' A' ' 14' ' ' MET . 0.0 OUTLIER -46.17 -23.39 0.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 110.277 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.422 ' N ' ' C ' ' A' ' 16' ' ' ILE . 5.4 t70 -60.23 -31.04 69.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.726 ' CB ' HD21 ' A' ' 80' ' ' LEU . 1.4 p -68.79 -68.09 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.997 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.723 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 86.35 49.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 61.96 59.78 9.08 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.514 1.134 . . . . 0.0 111.042 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -155.64 -73.99 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.43 ' O ' ' HB2' ' A' ' 19' ' ' SER . 3.1 ptt180 -159.61 132.8 6.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 0.763 . . . . 0.0 110.283 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.873 ' HG ' HG23 ' A' ' 16' ' ' ILE . 2.0 tm? -118.37 130.04 55.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.573 ' O ' HD13 ' A' ' 29' ' ' ILE . 23.0 p -102.97 121.73 43.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.1 . . . . 0.0 110.378 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.897 HD11 HD22 ' A' ' 55' ' ' LEU . 4.1 mm? -75.59 -21.76 57.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.34 -57.23 7.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.89 -34.45 77.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 110.27 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.573 HD13 ' O ' ' A' ' 25' ' ' THR . 1.3 mp -65.37 -40.56 88.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -61.69 -49.92 74.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.82 -27.36 68.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.356 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.522 ' OH ' ' CE ' ' A' ' 14' ' ' MET . 0.8 OUTLIER -80.23 -26.13 39.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.792 HD11 HD13 ' A' ' 11' ' ' LEU . 0.6 OUTLIER -75.47 -52.58 10.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 109.305 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 74.6 mtm -67.37 -26.03 66.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -79.8 -20.43 68.27 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.538 1.149 . . . . 0.0 110.981 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.504 ' HG3' ' CE1' ' A' ' 32' ' ' TYR . 3.1 mmtm -103.89 -58.85 1.81 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 0.768 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -78.13 113.92 37.71 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.966 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -39.5 1.18 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.492 1.786 . . . . 0.0 110.984 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -61.55 -30.66 70.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -76.45 -29.11 56.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 111.016 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.7 ttt180 -99.39 30.65 3.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.3 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -148.36 -45.96 0.03 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.489 1.118 . . . . 0.0 111.055 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 28.9 m -69.74 -77.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 0.756 . . . . 0.0 109.998 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.532 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 10.4 p90 -159.11 123.82 4.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 41.3 p -89.99 36.82 0.87 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.404 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -110.71 52.8 0.61 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.481 1.113 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.44 ' NE1' ' O ' ' A' ' 44' ' ' TYR . 0.1 OUTLIER -126.9 6.3 6.62 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -55.64 -38.57 69.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.305 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -72.43 -52.27 16.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 66.6 m -59.65 -55.23 36.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.004 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.997 HG22 HD11 ' A' ' 12' ' ' ILE . 0.5 OUTLIER -53.64 -44.46 57.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.421 ' N ' ' CG1' ' A' ' 51' ' ' VAL . 65.1 mtt180 -61.1 -43.82 98.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 0.0 110.338 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 61.1 m170 -55.57 -49.83 71.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.614 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.511 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 1.3 t-20 -69.31 -31.28 69.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.897 HD22 HD11 ' A' ' 26' ' ' LEU . 0.4 OUTLIER -55.58 -52.44 63.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.098 . . . . 0.0 109.266 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.569 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -79.33 -31.94 43.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.944 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 37.2 mt -80.22 1.17 29.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.511 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 7.2 t30 -101.11 -77.47 0.54 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.659 ' HB3' ' CD2' ' A' ' 61' ' ' PHE . 3.7 t70 -67.89 -54.51 18.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.585 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 2.3 t 94.76 71.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 108.343 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.841 ' HE2' HG21 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -125.76 -165.1 1.38 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 110.975 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.449 ' O ' ' HB3' ' A' ' 78' ' ' TRP . 72.2 t -115.48 153.84 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.597 ' HB2' ' CD1' ' A' ' 78' ' ' TRP . 0.2 OUTLIER -116.67 148.84 40.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.896 HG22 ' O ' ' A' ' 77' ' ' TYR . 5.5 m . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.164 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.896 ' O ' HG22 ' A' ' 64' ' ' VAL . 27.5 p90 -143.14 160.83 39.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.973 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.677 ' CZ3' HD22 ' A' ' 55' ' ' LEU . 20.1 m0 -115.25 162.29 17.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 107.984 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.406 ' N ' ' O ' ' A' ' 62' ' ' VAL . 0.2 OUTLIER -117.89 122.0 42.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 111.013 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.803 HD23 ' H ' ' A' ' 80' ' ' LEU . 2.2 pt? -121.99 154.7 36.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -168.01 153.33 6.72 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.15 0 O-C-N 124.495 1.787 . . . . 0.0 110.943 -179.989 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.49 0.186 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 tt -54.98 -46.25 76.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.74 -42.54 97.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.091 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.934 HD11 HD21 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -55.32 -44.04 75.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.996 HD12 HD12 ' A' ' 55' ' ' LEU . 20.1 mm -60.38 -55.41 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.9 m -50.49 -38.34 43.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 110.411 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 56.9 ttp -77.34 -23.64 50.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 111.046 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.431 ' HB2' HD11 ' A' ' 33' ' ' LEU . . . -78.14 -52.26 8.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.249 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.721 ' HA ' HD13 ' A' ' 24' ' ' LEU . 8.3 mm -69.31 -31.34 49.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -46.47 -23.76 0.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.25 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.583 ' HB3' HD11 ' A' ' 29' ' ' ILE . 5.9 t70 -48.38 -30.92 5.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 60.3 p -91.23 -143.95 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.0 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -171.05 33.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.69 43.33 7.33 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.459 1.099 . . . . 0.0 111.035 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.46 ' CA ' ' O ' ' A' ' 80' ' ' LEU . . . -141.4 -68.65 0.03 OUTLIER Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.8 ptt180 -161.08 163.74 31.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 0.749 . . . . 0.0 110.295 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.721 HD13 ' HA ' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -160.45 171.82 18.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.443 ' HA ' ' O ' ' A' ' 76' ' ' ASN . 31.1 p -129.49 118.78 22.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.446 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.591 ' HG ' ' CZ2' ' A' ' 78' ' ' TRP . 4.2 mm? -66.53 -20.85 66.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.03 -51.33 68.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.63 -39.02 46.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.583 HD11 ' HB3' ' A' ' 18' ' ' ASP . 1.1 mp -55.1 -47.64 76.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -73.36 -36.72 66.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -49.84 -46.41 51.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.333 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.869 ' CZ ' HD12 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -80.39 -35.94 34.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 110.979 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.934 HD21 HD11 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -54.49 -44.67 72.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.419 ' HG3' ' N ' ' A' ' 35' ' ' GLY . 5.1 ptp -80.31 -26.23 38.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 111.019 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.419 ' N ' ' HG3' ' A' ' 34' ' ' MET . . . -78.66 -21.68 68.53 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.493 1.12 . . . . 0.0 110.999 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -95.04 -59.56 1.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 0.74 . . . . 0.0 109.258 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.688 ' CE1' HD12 ' A' ' 11' ' ' LEU . 65.0 m-85 -74.25 113.85 27.71 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -38.53 1.53 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.475 1.776 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -61.65 -32.49 72.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -71.81 -39.15 70.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 111.015 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.13 24.48 4.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.338 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -138.25 -48.18 0.07 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.551 1.157 . . . . 0.0 111.009 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.6 m -69.73 -68.48 0.41 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 0.777 . . . . 0.0 109.98 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.611 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 2.2 p90 -163.02 107.5 1.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.425 ' O ' HG23 ' A' ' 45' ' ' THR . 7.8 t -78.67 52.31 1.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.414 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -144.02 79.31 0.25 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.56 1.162 . . . . 0.0 111.043 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.643 ' CE3' HG21 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -139.56 17.74 2.54 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.419 ' O ' ' HG2' ' A' ' 52' ' ' ARG . 53.4 ttm-85 -58.75 -23.62 60.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.304 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -75.8 -51.75 11.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.5 p -71.56 -32.41 68.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 0.0 109.986 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.643 HG21 ' CE3' ' A' ' 47' ' ' TRP . 2.8 t -66.63 -62.22 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.419 ' HG2' ' O ' ' A' ' 48' ' ' ARG . 0.9 OUTLIER -53.27 -37.83 62.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 110.333 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.532 ' O ' ' CB ' ' A' ' 57' ' ' LEU . 0.1 OUTLIER -58.0 -53.37 59.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.6 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.519 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 1.9 t-20 -72.83 -23.43 60.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.996 HD12 HD12 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -61.88 -56.74 16.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.58 -36.44 38.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.97 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.532 ' CB ' ' O ' ' A' ' 53' ' ' HIS . 7.3 tt -66.45 -9.18 31.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.519 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 16.0 t30 -103.24 -78.27 0.55 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.649 ' HB3' ' CD2' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -62.08 -56.4 19.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.325 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.509 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 4.0 t 88.81 63.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 108.292 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.649 ' CD2' ' HB3' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -119.39 -167.0 1.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.97 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.443 HG12 ' N ' ' A' ' 63' ' ' LYS . 40.7 t -117.36 163.2 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.443 ' N ' HG12 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -118.66 155.32 31.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 10.1 t . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.249 -179.991 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.443 ' O ' ' HA ' ' A' ' 25' ' ' THR . 9.6 m120 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.521 ' C ' ' HD1' ' A' ' 78' ' ' TRP . 0.6 OUTLIER -118.31 123.45 45.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 111.028 179.92 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.648 ' CZ3' ' CD2' ' A' ' 55' ' ' LEU . 11.3 m0 -115.05 155.51 26.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 108.042 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -125.26 114.8 19.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.148 . . . . 0.0 110.973 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.637 HD22 ' CD2' ' A' ' 24' ' ' LEU . 1.1 pt? -120.34 153.57 36.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.265 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -166.53 154.85 9.53 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.176 0 O-C-N 124.468 1.773 . . . . 0.0 110.95 -179.983 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.51 0.195 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.551 HD12 ' N ' ' A' ' 10' ' ' ALA . 2.6 pp -61.85 -47.25 94.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.551 ' N ' HD12 ' A' ' 9' ' ' ILE . . . -61.93 -41.33 97.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.968 HD21 HD21 ' A' ' 33' ' ' LEU . 0.5 OUTLIER -58.55 -50.33 74.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.338 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.693 ' N ' HD23 ' A' ' 11' ' ' LEU . 0.5 OUTLIER -61.58 -40.8 87.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 35.1 m -52.45 -48.34 65.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.423 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.436 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 7.1 ptt? -77.43 -20.23 54.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.566 ' HB1' HG23 ' A' ' 29' ' ' ILE . . . -74.53 -52.73 11.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 109.332 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.572 HD11 ' CG ' ' A' ' 55' ' ' LEU . 24.3 mm -69.07 -35.69 69.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -46.2 -22.24 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.424 ' N ' ' C ' ' A' ' 16' ' ' ILE . 22.1 t0 -52.87 -38.56 61.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.774 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 1.7 p -70.11 -63.9 0.99 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.045 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.774 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 92.82 38.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 69.36 57.24 7.65 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.532 1.145 . . . . 0.0 110.988 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 80' ' ' LEU . . . -158.02 -74.57 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.422 ' C ' ' HB3' ' A' ' 19' ' ' SER . 0.0 OUTLIER -160.83 130.88 5.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 0.776 . . . . 0.0 110.297 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.716 HD22 HD22 ' A' ' 80' ' ' LEU . 0.1 OUTLIER -119.57 169.65 9.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.431 ' HA ' ' HA ' ' A' ' 77' ' ' TYR . 72.5 p -127.52 92.84 3.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 110.388 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.72 HD11 HD22 ' A' ' 55' ' ' LEU . 4.5 mm? -45.22 -27.64 0.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.85 -49.98 66.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.45 -36.69 65.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 110.302 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.602 ' CD1' HD12 ' A' ' 24' ' ' LEU . 1.4 mp -60.03 -54.25 37.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -68.38 -28.72 67.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 0.0 109.274 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -58.45 -50.32 74.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.641 ' CD1' ' C ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -79.02 -24.96 43.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.968 HD21 HD21 ' A' ' 11' ' ' LEU . 3.2 tp -59.22 -53.01 63.19 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -80.38 -29.4 37.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -79.92 -3.58 89.35 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.493 1.121 . . . . 0.0 110.948 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 10.5 tttp -113.3 -52.39 2.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 0.781 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.517 ' CZ ' HD12 ' A' ' 11' ' ' LEU . 32.5 m-85 -85.42 113.6 51.66 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.413 ' HA ' ' HG2' ' A' ' 41' ' ' ARG . 18.3 Cg_endo -74.97 -31.76 5.99 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.452 1.764 . . . . 0.0 111.066 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -68.06 -31.08 70.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.744 ' CE2' ' CE2' ' A' ' 47' ' ' TRP . 0.1 OUTLIER -70.31 -42.72 71.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 110.968 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.413 ' HG2' ' HA ' ' A' ' 38' ' ' PRO . 0.6 OUTLIER -81.74 5.92 17.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -133.6 45.85 1.09 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.496 1.122 . . . . 0.0 111.012 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 36.2 m -151.18 -72.26 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 0.756 . . . . 0.0 110.002 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.583 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 2.7 p90 -168.58 105.66 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.996 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.609 HG22 ' O ' ' A' ' 45' ' ' THR . 10.8 m -78.16 53.97 1.29 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.399 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -136.61 39.88 1.59 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.504 1.127 . . . . 0.0 111.013 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.744 ' CE2' ' CE2' ' A' ' 40' ' ' PHE . 0.1 OUTLIER -109.49 -3.96 16.63 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 11.8 ttp85 -50.46 -25.77 4.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.243 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.421 ' O ' ' HG2' ' A' ' 52' ' ' ARG . 0.9 OUTLIER -76.6 -49.28 16.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.13 -25.05 60.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 109.992 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.471 ' N ' ' O ' ' A' ' 47' ' ' TRP . 2.9 t -71.63 -58.11 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.421 ' HG2' ' O ' ' A' ' 49' ' ' ASN . 14.7 ptt180 -56.42 -47.34 79.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.574 1.171 . . . . 0.0 110.334 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.428 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 0.6 OUTLIER -54.08 -56.78 14.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.591 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.501 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 7.1 t-20 -62.32 -29.16 70.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.72 HD22 HD11 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -54.91 -54.29 44.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.06 -27.07 33.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.005 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.428 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 1.8 tp -80.94 1.07 32.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 22.9 t-20 -112.24 -66.02 1.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.578 ' HB3' ' CD2' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -79.7 -52.93 7.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.256 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.49 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 5.0 m 86.37 72.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 108.317 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.578 ' CD2' ' HB3' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -125.99 -165.7 1.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 110.99 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.418 HG12 ' N ' ' A' ' 63' ' ' LYS . 70.5 t -116.58 160.61 15.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.531 ' HE3' ' CE2' ' A' ' 78' ' ' TRP . 0.0 OUTLIER -118.02 154.08 32.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.557 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 40.7 t . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.568 1.167 . . . . 0.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.557 ' ND2' ' O ' ' A' ' 64' ' ' VAL . 4.8 t-20 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.56 ' CD1' ' N ' ' A' ' 77' ' ' TYR . 1.3 p90 -131.56 153.83 49.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.964 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.657 ' CZ3' HD22 ' A' ' 55' ' ' LEU . 26.4 m0 -114.43 160.91 18.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 108.011 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.7 ptm -118.98 112.51 19.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 111.022 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.716 HD22 HD22 ' A' ' 24' ' ' LEU . 0.6 OUTLIER -119.01 153.25 34.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -160.23 155.87 22.25 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 109.332 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.16 0 O-C-N 124.473 1.775 . . . . 0.0 110.979 -179.937 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.824 ' HA ' HD23 ' A' ' 11' ' ' LEU . 4.3 m-85 . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.51 0.195 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 33.7 mt -69.84 -55.27 15.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.03 -45.45 79.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 1.003 HD11 HD21 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -58.54 -43.13 89.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.778 HD11 HG13 ' A' ' 51' ' ' VAL . 0.8 OUTLIER -65.12 -37.97 81.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.0 m -58.38 -50.77 72.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.389 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.417 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 3.5 ptt? -69.59 -26.17 64.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.5 ' HB1' HG23 ' A' ' 29' ' ' ILE . . . -70.22 -50.96 34.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.789 HD11 HD21 ' A' ' 55' ' ' LEU . 11.9 mm -67.55 -30.73 49.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.2 -19.5 2.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.511 ' CB ' HD11 ' A' ' 29' ' ' ILE . 19.7 t70 -48.76 -32.73 9.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.3 p -89.09 -142.05 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.989 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -168.5 33.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 79.59 39.42 18.01 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.517 1.135 . . . . 0.0 110.971 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -135.22 -68.74 0.07 OUTLIER Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.1 ptt-85 -162.22 156.6 21.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 0.78 . . . . 0.0 110.278 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.733 HD23 ' HB2' ' A' ' 78' ' ' TRP . 0.1 OUTLIER -160.97 166.77 27.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.415 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 1.4 p -119.31 113.95 21.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.4 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.947 HD11 HD22 ' A' ' 55' ' ' LEU . 3.7 mm? -60.19 -20.62 59.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.66 -47.48 81.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -73.73 -39.58 64.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.425 1.078 . . . . 0.0 110.257 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.511 HD11 ' CB ' ' A' ' 18' ' ' ASP . 0.6 OUTLIER -57.69 -51.52 69.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.405 ' HA ' ' HB2' ' A' ' 33' ' ' LEU . 62.1 m-20 -69.84 -29.99 67.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -57.52 -48.97 77.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.248 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.638 ' CD1' ' C ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -80.01 -26.42 39.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 111.017 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 1.003 HD21 HD11 ' A' ' 11' ' ' LEU . 3.1 tp -57.41 -48.41 79.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -79.86 -28.74 39.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.952 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -78.18 -6.43 87.63 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.524 1.14 . . . . 0.0 110.961 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? -111.79 -55.69 2.47 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.507 0.769 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 9.8 m-30 -83.42 113.77 48.87 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.995 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -39.86 1.06 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.451 1.764 . . . . 0.0 111.003 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -58.57 -33.62 70.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.798 ' CD2' ' CZ2' ' A' ' 47' ' ' TRP . 0.1 OUTLIER -71.5 -36.19 71.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.97 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.12 12.1 14.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.264 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -140.67 40.45 1.37 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.453 1.096 . . . . 0.0 111.032 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 39.4 m -143.5 -69.55 0.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 0.753 . . . . 0.0 110.023 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.568 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 4.4 p90 -169.93 107.99 0.37 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.6 p -77.01 56.67 1.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 110.404 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -142.49 28.52 2.19 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.525 1.141 . . . . 0.0 110.986 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.798 ' CZ2' ' CD2' ' A' ' 40' ' ' PHE . 0.9 OUTLIER -99.34 -12.53 20.22 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.2 ttt180 -50.13 -22.31 1.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -78.46 -48.52 15.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 109.258 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.76 -32.04 63.62 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.131 . . . . 0.0 109.978 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.778 HG13 HD11 ' A' ' 12' ' ' ILE . 5.2 t -69.32 -56.81 10.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.424 ' CG ' ' N ' ' A' ' 53' ' ' HIS . 5.1 ptt180 -57.8 -40.45 79.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.289 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.471 ' O ' HD13 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -57.8 -55.78 30.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 109.587 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.483 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 2.1 t30 -64.3 -28.76 69.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.972 HD23 ' CZ3' ' A' ' 78' ' ' TRP . 1.0 OUTLIER -56.15 -51.37 68.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.272 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.577 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -80.67 -29.98 36.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.007 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.471 HD13 ' O ' ' A' ' 53' ' ' HIS . 10.7 mp -80.73 0.52 34.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.483 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 22.7 t-20 -108.43 -76.16 0.62 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.605 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 1.2 m-20 -58.62 -53.14 61.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.52 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.5 OUTLIER 88.93 59.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 108.338 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.605 ' CE2' ' HB2' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -119.19 -169.52 1.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.977 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.6 p -118.65 140.55 41.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 78' ' ' TRP . 0.1 OUTLIER -119.05 175.14 5.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.628 HG21 ' HB3' ' A' ' 67' ' ' ASP . 0.9 OUTLIER -119.1 136.17 57.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.321 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -77.15 88.0 3.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 40.34 89.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.628 ' HB3' HG21 ' A' ' 64' ' ' VAL . 0.1 OUTLIER -82.32 168.07 26.11 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 72.4 4.65 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.513 1.796 . . . . 0.0 111.037 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 36.0 t -177.59 65.74 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.01 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.94 110.73 20.22 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.274 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.553 ' O ' ' CG ' ' A' ' 72' ' ' TRP . 18.2 Cg_endo -75.02 122.74 7.39 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.498 1.788 . . . . 0.0 110.985 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.553 ' CG ' ' O ' ' A' ' 71' ' ' PRO . 9.3 m95 91.33 -36.89 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 107.964 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 100.53 62.93 0.79 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.7 pttm 177.3 51.2 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 0.731 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.58 171.46 11.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.4 ' O ' ' HB ' ' A' ' 25' ' ' THR . 2.2 m-20 -152.11 143.01 23.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.438 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.1 OUTLIER -119.33 126.88 52.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 111.024 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.972 ' CZ3' HD23 ' A' ' 55' ' ' LEU . 16.1 m0 -116.48 145.1 43.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 108.026 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -120.45 106.05 11.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.681 ' CD2' HD22 ' A' ' 24' ' ' LEU . 0.6 OUTLIER -119.64 152.56 36.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 13.5 p30 -163.41 158.03 17.31 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.186 0 O-C-N 124.471 1.774 . . . . 0.0 111.053 -179.999 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.471 ' HA ' ' CD2' ' A' ' 11' ' ' LEU . 4.6 m-85 . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.568 0.223 . . . . 0.0 111.034 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.42 HG13 ' N ' ' A' ' 10' ' ' ALA . 7.0 pt -65.65 -32.98 60.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.42 ' N ' HG13 ' A' ' 9' ' ' ILE . . . -74.2 -55.98 5.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.826 ' CD1' HD21 ' A' ' 33' ' ' LEU . 1.1 pp -56.35 -28.67 59.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.243 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 1.012 ' CD1' HD12 ' A' ' 55' ' ' LEU . 3.3 mm -72.55 -49.94 38.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.8 m -51.86 -45.88 64.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.412 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.3 ptt? -72.36 -31.05 65.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.964 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.401 ' O ' HD11 ' A' ' 29' ' ' ILE . . . -66.81 -45.24 78.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.331 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.947 HD11 ' CG ' ' A' ' 55' ' ' LEU . 10.4 mm -73.65 -29.79 27.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.87 -17.59 1.47 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.304 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -51.47 -32.29 26.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.2 p -86.23 -144.33 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.95 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -166.07 31.68 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 80' ' ' LEU . . . 82.28 42.45 8.62 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 80' ' ' LEU . . . -141.32 -67.79 0.03 OUTLIER Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -160.75 155.73 24.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 0.764 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.604 HD22 HD22 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -150.27 172.93 14.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.97 HG21 ' O ' ' A' ' 72' ' ' TRP . 37.8 p -124.01 110.75 15.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.413 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.89 HD11 HD22 ' A' ' 55' ' ' LEU . 3.7 mm? -62.68 -25.13 67.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.484 ' HB2' ' HB2' ' A' ' 75' ' ' ASP . . . -62.91 -52.0 64.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -72.97 -34.03 66.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 110.316 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.608 HG21 HD13 ' A' ' 26' ' ' LEU . 0.9 OUTLIER -59.33 -53.91 41.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.501 ' N ' HG22 ' A' ' 29' ' ' ILE . 11.8 t-20 -69.02 -29.54 67.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -57.49 -48.87 78.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.264 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.631 ' CD1' ' C ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -80.29 -25.98 39.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.976 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.826 HD21 ' CD1' ' A' ' 11' ' ' LEU . 3.5 tp -58.45 -50.23 74.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 6.0 ttp -79.98 -20.82 44.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -80.16 -9.53 86.51 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.443 1.09 . . . . 0.0 111.008 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.12 -55.79 2.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 0.742 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.451 ' CE2' HD22 ' A' ' 11' ' ' LEU . 3.3 m-85 -69.88 112.92 13.94 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.406 ' HA ' ' HG2' ' A' ' 41' ' ' ARG . 18.2 Cg_endo -75.03 -34.78 3.54 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.483 1.78 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -64.67 -32.24 73.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 111.012 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.795 ' CD2' ' CZ2' ' A' ' 47' ' ' TRP . 1.3 m-30 -69.31 -43.63 73.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 111.011 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.406 ' HG2' ' HA ' ' A' ' 38' ' ' PRO . 5.3 ptm180 -82.2 6.79 15.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 110.264 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -135.49 24.29 3.37 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.445 1.091 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.7 m -135.47 -79.93 0.43 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 0.763 . . . . 0.0 110.006 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.534 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 1.8 p90 -165.65 119.44 1.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.982 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 38.6 m -86.9 51.19 2.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.422 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -128.02 41.49 1.58 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.536 1.147 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.795 ' CZ2' ' CD2' ' A' ' 40' ' ' PHE . 2.0 p-90 -120.36 3.68 10.79 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.422 ' HG2' ' ND2' ' A' ' 30' ' ' ASN . 55.1 mtp180 -54.72 -29.15 52.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -79.32 -37.41 37.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 28.9 m -75.98 -38.72 57.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.99 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.694 HG22 HD11 ' A' ' 12' ' ' ILE . 0.3 OUTLIER -68.1 -52.28 40.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 109.305 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.54 ' N ' ' CG1' ' A' ' 51' ' ' VAL . 7.0 ptm180 -60.17 -42.82 95.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.324 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.496 ' N ' ' CG ' ' A' ' 52' ' ' ARG . 5.3 m170 -55.28 -56.97 13.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 109.59 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.466 ' O ' ' N ' ' A' ' 58' ' ' ASN . 1.3 m-20 -62.76 -31.71 72.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.265 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 1.012 HD12 ' CD1' ' A' ' 12' ' ' ILE . 0.4 OUTLIER -52.88 -50.1 64.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.553 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -79.83 -30.74 40.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.161 . . . . 0.0 109.988 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -80.13 1.29 28.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.466 ' N ' ' O ' ' A' ' 54' ' ' ASN . 0.9 OUTLIER -99.21 -88.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.548 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 0.2 OUTLIER -57.26 -50.23 73.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.336 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.548 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 4.4 t 92.46 64.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 108.328 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.553 ' CE1' ' HA ' ' A' ' 56' ' ' SER . 0.2 OUTLIER -119.22 -165.33 1.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 110.982 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 93.8 t -116.19 159.15 16.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.595 ' HB2' ' CD1' ' A' ' 78' ' ' TRP . 0.0 OUTLIER -118.63 152.07 36.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 57.7 t -122.52 112.11 32.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 109.31 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.6 pp -103.61 162.31 13.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 49.01 95.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.282 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -104.25 154.15 38.48 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -49.83 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.521 1.801 . . . . 0.0 111.009 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.32 58.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 110.036 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.592 ' O ' ' CE1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -170.45 65.35 0.48 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.128 . . . . 0.0 110.268 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.428 ' C ' ' N ' ' A' ' 73' ' ' GLY . 18.4 Cg_endo -74.98 -13.29 21.49 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.482 1.78 . . . . 0.0 111.044 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.97 ' O ' HG21 ' A' ' 25' ' ' THR . 0.0 OUTLIER 48.63 25.16 0.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 108.025 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.428 ' N ' ' C ' ' A' ' 71' ' ' PRO . . . -171.85 -118.05 0.46 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.499 1.124 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.431 ' HG3' ' HB1' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -161.57 42.45 0.15 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 0.754 . . . . 0.0 109.326 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.484 ' HB2' ' HB2' ' A' ' 27' ' ' ALA . 1.4 t0 -175.61 -68.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.418 ' OD1' ' N ' ' A' ' 76' ' ' ASN . 1.0 OUTLIER -175.43 168.28 3.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.592 ' CE1' ' O ' ' A' ' 70' ' ' ARG . 5.0 p90 -131.78 157.32 44.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 111.041 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.615 ' CZ3' HD23 ' A' ' 55' ' ' LEU . 31.7 m0 -114.6 161.52 17.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 108.002 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 13.8 ttm -119.23 111.32 18.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.981 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.604 HD22 HD22 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -118.79 153.19 34.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -160.6 153.39 17.74 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.51 1.795 . . . . 0.0 111.071 179.951 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.927 ' HA ' HD23 ' A' ' 11' ' ' LEU . 4.1 m-85 . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.508 0.194 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -53.91 -40.72 45.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.52 -50.42 63.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 1.131 HD11 HD21 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -54.97 -36.8 65.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 1.009 HD12 HD12 ' A' ' 55' ' ' LEU . 10.2 mm -67.68 -46.44 82.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.249 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 84.4 m -52.16 -49.09 64.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 110.415 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 3.9 ptt? -73.14 -26.47 61.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.22 -43.08 74.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.344 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.884 HD11 ' CG ' ' A' ' 55' ' ' LEU . 3.9 mm -80.77 -24.07 10.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.8 -15.46 3.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 110.301 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -58.43 -33.94 70.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.102 . . . . 0.0 109.267 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.1 p -82.79 -143.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.027 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -169.32 32.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.079 . . . . 0.0 109.308 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.427 ' CA ' ' HD2' ' A' ' 82' ' ' PRO . . . 80.47 41.69 11.13 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 80' ' ' LEU . . . -139.44 -68.79 0.04 OUTLIER Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.3 ptt180 -161.16 162.41 31.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 0.778 . . . . 0.0 110.314 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.649 HD21 HD22 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -160.15 170.25 21.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.275 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.451 ' HA ' ' HA ' ' A' ' 77' ' ' TYR . 15.7 p -118.38 112.52 20.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.388 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.698 HD11 HD22 ' A' ' 55' ' ' LEU . 3.2 mm? -63.94 -27.3 69.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.55 -53.23 57.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -70.66 -35.04 72.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.276 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.443 HG21 HD13 ' A' ' 26' ' ' LEU . 1.1 mp -57.68 -49.39 80.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.415 ' ND2' ' HD3' ' A' ' 48' ' ' ARG . 0.8 OUTLIER -69.45 -32.38 71.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -56.1 -51.01 69.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 110.257 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.648 ' CD1' ' C ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -75.7 -28.82 58.77 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 110.961 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 1.131 HD21 HD11 ' A' ' 11' ' ' LEU . 2.3 tp -56.95 -48.05 79.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 6.3 mtt -78.2 -28.12 47.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 110.999 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -76.11 -13.76 82.92 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.433 1.083 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.5 mtpt -102.96 -57.6 2.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 0.776 . . . . 0.0 109.299 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -80.11 113.67 40.45 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 111.031 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -39.5 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.495 1.787 . . . . 0.0 110.98 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -59.1 -32.29 69.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.98 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.756 ' CD2' ' CZ2' ' A' ' 47' ' ' TRP . 0.1 OUTLIER -76.29 -28.0 56.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.969 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.64 3.13 38.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.375 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -144.15 54.11 0.58 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.477 1.111 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 73.7 m -150.3 -72.97 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 0.73 . . . . 0.0 109.986 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.552 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 1.9 p90 -174.81 117.65 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 111.034 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.8 t -87.5 52.27 2.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.398 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -126.03 27.03 5.2 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.485 1.115 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.756 ' CZ2' ' CD2' ' A' ' 40' ' ' PHE . 3.4 p-90 -106.66 0.04 24.04 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.415 ' HD3' ' ND2' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -52.22 -30.68 28.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.468 ' H ' ' ND2' ' A' ' 49' ' ' ASN . 1.7 p30 -75.3 -53.68 8.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.52 -40.74 97.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.017 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.672 HG21 ' CE3' ' A' ' 47' ' ' TRP . 2.1 t -60.21 -56.54 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.469 ' HG2' ' CH2' ' A' ' 78' ' ' TRP . 54.3 mtt180 -58.8 -40.37 83.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 110.269 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.407 ' ND1' HD22 ' A' ' 57' ' ' LEU . 27.9 t-80 -57.69 -57.42 12.83 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.123 . . . . 0.0 109.576 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.461 ' O ' ' N ' ' A' ' 58' ' ' ASN . 0.7 OUTLIER -62.03 -34.23 75.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 1.009 HD12 HD12 ' A' ' 12' ' ' ILE . 0.4 OUTLIER -52.7 -49.26 65.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.549 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.2 OUTLIER -80.29 -30.07 38.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.991 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.407 HD22 ' ND1' ' A' ' 53' ' ' HIS . 4.4 mp -80.46 1.38 29.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 54' ' ' ASN . 4.7 m-20 -98.39 -89.84 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.56 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 0.2 OUTLIER -56.65 -47.79 78.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.548 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 3.6 t 91.4 63.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 108.269 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -119.73 -165.33 1.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 111.033 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 94.7 t -116.36 153.59 17.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.343 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.589 ' HB2' ' CD1' ' A' ' 78' ' ' TRP . 0.0 OUTLIER -118.28 150.51 39.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.297 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 25.6 t -119.77 92.51 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.417 ' O ' ' NH2' ' A' ' 70' ' ' ARG . 3.6 pp -130.98 32.73 4.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -149.25 84.0 1.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.284 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -167.61 145.08 3.77 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 76.08 3.5 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.482 1.78 . . . . 0.0 110.99 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.4 m 177.5 41.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.975 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.417 ' NH2' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -171.57 68.52 0.46 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 110.321 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.5 ' O ' ' HB2' ' A' ' 72' ' ' TRP . 18.3 Cg_endo -74.99 -173.48 1.58 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.462 1.77 . . . . 0.0 111.012 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.5 ' HB2' ' O ' ' A' ' 71' ' ' PRO . 0.0 OUTLIER 80.63 -38.58 0.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 108.035 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.473 ' H ' ' C ' ' A' ' 71' ' ' PRO . . . 69.43 70.04 1.25 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.9 tmmt? -173.24 -40.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 0.775 . . . . 0.0 109.327 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -90.07 114.39 26.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 -158.27 174.59 14.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.451 ' HA ' ' HA ' ' A' ' 25' ' ' THR . 13.4 p90 -143.79 157.69 44.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.943 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.614 ' CZ3' ' CD2' ' A' ' 55' ' ' LEU . 31.0 m0 -114.75 162.37 16.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 108.006 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -119.53 111.79 18.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 110.978 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.492 ' CB ' ' HB3' ' A' ' 61' ' ' PHE . 0.6 OUTLIER -118.83 156.56 29.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -167.49 75.97 0.97 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.568 1.167 . . . . 0.0 109.284 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.427 ' HD2' ' CA ' ' A' ' 21' ' ' GLY . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.142 0 O-C-N 124.498 1.788 . . . . 0.0 111.018 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.995 ' HA ' HD23 ' A' ' 11' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.508 0.194 . . . . 0.0 111.015 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 24.7 pt -61.44 -36.82 75.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.25 -52.87 23.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 1.035 ' CD1' HD21 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -49.96 -38.57 37.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.258 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.862 ' CD1' HD12 ' A' ' 55' ' ' LEU . 5.6 mm -68.35 -46.34 80.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.266 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 54.1 m -54.7 -49.4 70.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.433 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.1 ptt? -70.98 -25.69 62.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 110.955 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.439 ' O ' ' CG1' ' A' ' 29' ' ' ILE . . . -71.92 -42.16 67.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.904 HD11 HD21 ' A' ' 55' ' ' LEU . 8.2 mm -80.2 -22.58 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.9 ttp180 -59.41 -12.32 5.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.409 ' HB3' HD12 ' A' ' 24' ' ' LEU . 4.6 t70 -77.4 0.23 23.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.767 ' CB ' HD21 ' A' ' 80' ' ' LEU . 0.9 OUTLIER -96.1 -47.98 5.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.093 . . . . 0.0 109.949 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.646 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 82.19 43.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.344 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 54.38 52.08 47.02 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.516 1.135 . . . . 0.0 111.041 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -154.33 -79.06 0.02 OUTLIER Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -163.96 154.56 15.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 0.778 . . . . 0.0 110.267 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.752 HD13 ' HB3' ' A' ' 19' ' ' SER . 0.2 OUTLIER -161.7 170.59 19.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.26 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.418 HG22 ' CE1' ' A' ' 77' ' ' TYR . 3.2 p -104.04 105.45 15.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.098 . . . . 0.0 110.358 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.876 HD23 ' CD2' ' A' ' 78' ' ' TRP . 0.6 OUTLIER -52.69 -31.49 37.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.464 ' CB ' ' HB3' ' A' ' 75' ' ' ASP . . . -56.4 -49.13 75.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.36 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -67.07 -29.17 68.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.465 HG21 HD13 ' A' ' 26' ' ' LEU . 1.1 mp -59.62 -54.63 31.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.463 ' N ' HG22 ' A' ' 29' ' ' ILE . 31.0 m-20 -68.15 -30.4 69.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -56.82 -49.99 73.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.705 ' CE1' HD12 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -78.91 -26.93 43.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 1.035 HD21 ' CD1' ' A' ' 11' ' ' LEU . 2.0 tp -60.7 -47.96 83.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.6 ptt? -74.08 -32.15 63.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -76.46 -8.42 85.82 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.51 1.131 . . . . 0.0 111.036 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.6 mttp -106.98 -54.64 2.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 0.778 . . . . 0.0 109.295 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -75.87 113.6 28.81 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 0.0 111.022 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -39.28 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -65.68 -22.19 66.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.975 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.503 ' CD2' ' CZ2' ' A' ' 47' ' ' TRP . 2.1 m-30 -75.78 -49.61 17.63 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -71.57 -6.16 38.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -102.3 -47.48 1.43 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.572 1.17 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.5 m -69.9 -76.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 0.747 . . . . 0.0 110.005 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.495 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 15.2 p90 -169.17 126.26 0.94 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.574 HG23 ' CH2' ' A' ' 47' ' ' TRP . 48.8 m -94.02 48.67 1.27 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 110.389 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -125.0 47.62 1.01 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.519 1.137 . . . . 0.0 111.026 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.574 ' CH2' HG23 ' A' ' 45' ' ' THR . 0.0 OUTLIER -116.81 14.29 15.2 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.09 -31.33 69.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 110.3 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -71.95 -55.42 7.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 33.9 m -65.46 -33.18 75.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.017 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.535 HG13 HD11 ' A' ' 12' ' ' ILE . 3.0 t -61.92 -57.78 10.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.426 1.079 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.423 ' HG3' ' N ' ' A' ' 53' ' ' HIS . 0.5 OUTLIER -61.33 -29.57 69.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.318 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.666 ' O ' HD13 ' A' ' 57' ' ' LEU . 1.5 t-160 -59.65 -55.97 27.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.62 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 58' ' ' ASN . 6.0 t-20 -73.61 -28.97 62.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.904 HD21 HD11 ' A' ' 16' ' ' ILE . 0.5 OUTLIER -56.35 -52.66 63.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.2 t -74.45 -32.24 62.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.999 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.666 HD13 ' O ' ' A' ' 53' ' ' HIS . 10.9 mp -80.72 1.3 30.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 54' ' ' ASN . 14.3 t30 -93.06 -80.97 0.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.591 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 0.4 OUTLIER -79.52 -50.85 10.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.591 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 3.3 t 95.77 78.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 108.264 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.577 ' CE1' HD23 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -123.96 -166.52 1.5 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.521 HG12 ' O ' ' A' ' 79' ' ' MET . 12.9 p -119.21 155.91 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.471 ' HB2' ' CD2' ' A' ' 78' ' ' TRP . 1.7 tttt -119.42 146.09 45.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.673 HG13 ' O ' ' A' ' 77' ' ' TYR . 0.1 OUTLIER -125.25 109.12 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' A' ' 76' ' ' ASN . 31.2 tp -109.25 33.23 4.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.8 ttt-85 -154.97 75.8 0.97 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.286 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -135.55 132.76 19.88 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 71.58 4.95 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.429 1.752 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.9 t -167.25 41.81 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 110.044 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.468 ' CZ ' ' HB2' ' A' ' 70' ' ' ARG . 0.7 OUTLIER -165.32 67.31 1.2 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.28 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 85.6 1.51 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.495 1.787 . . . . 0.0 111.011 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 1.6 t-105 -178.52 -40.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 107.969 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 70.8 89.28 0.1 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.545 1.153 . . . . 0.0 110.962 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.3 ttmt -173.34 -40.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 0.788 . . . . 0.0 109.321 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.464 ' HB3' ' CB ' ' A' ' 27' ' ' ALA . 0.1 OUTLIER -102.02 165.71 11.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.524 ' OD1' ' CD1' ' A' ' 78' ' ' TRP . 20.2 p30 -141.92 169.97 16.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.673 ' O ' HG13 ' A' ' 64' ' ' VAL . 1.2 m-85 -121.06 146.13 47.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 111.017 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.876 ' CD2' HD23 ' A' ' 26' ' ' LEU . 11.4 m0 -122.2 159.45 27.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 108.056 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.521 ' O ' HG12 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -134.61 108.15 7.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 111.0 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.767 HD21 ' CB ' ' A' ' 19' ' ' SER . 0.7 OUTLIER -118.93 150.22 40.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 109.284 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -160.51 138.12 7.02 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.178 0 O-C-N 124.496 1.787 . . . . 0.0 110.967 -179.975 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.518 0.199 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -60.77 -35.26 63.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.57 -39.74 84.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.283 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.846 HD13 ' CE1' ' A' ' 37' ' ' PHE . 6.9 tp -60.03 -48.94 79.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 1.048 ' O ' HG22 ' A' ' 16' ' ' ILE . 1.0 OUTLIER -66.9 -39.09 82.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.432 ' O ' ' CB ' ' A' ' 17' ' ' ARG . 21.4 m -57.7 -49.36 76.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.391 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.601 ' CE ' HD12 ' A' ' 11' ' ' LEU . 3.8 ptt? -70.05 -28.43 65.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.654 ' HB2' ' OH ' ' A' ' 32' ' ' TYR . . . -69.47 -59.7 2.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 1.048 HG22 ' O ' ' A' ' 12' ' ' ILE . 0.3 OUTLIER -65.59 -29.93 48.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.274 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.436 ' C ' ' N ' ' A' ' 19' ' ' SER . 0.0 OUTLIER -57.05 -14.07 3.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.252 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.458 ' HB2' HD11 ' A' ' 29' ' ' ILE . 11.2 t0 -47.74 -22.96 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.487 ' OG ' ' N ' ' A' ' 20' ' ' ALA . 1.7 p -86.19 -149.71 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.977 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.487 ' N ' ' OG ' ' A' ' 19' ' ' SER . . . -154.45 23.18 0.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.17 41.38 3.04 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.479 1.112 . . . . 0.0 111.043 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -142.39 -76.32 0.04 OUTLIER Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.434 ' CB ' ' HA ' ' A' ' 79' ' ' MET . 0.0 OUTLIER -164.97 163.41 20.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 0.76 . . . . 0.0 110.276 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.593 ' CD1' ' N ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -161.63 164.11 29.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.6 p -94.6 123.85 38.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.45 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.768 HD11 ' CD1' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -76.74 -24.85 53.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.628 ' HB1' ' OD1' ' A' ' 75' ' ' ASP . . . -58.63 -47.97 82.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -72.15 -42.43 65.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.651 HG23 ' HB1' ' A' ' 15' ' ' ALA . 0.7 OUTLIER -53.09 -50.61 44.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.295 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 30.3 m120 -72.03 -30.67 65.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -56.39 -48.51 76.74 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.461 1.101 . . . . 0.0 110.268 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.79 ' CE1' HD12 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -79.67 -30.01 41.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.79 HD12 ' CE1' ' A' ' 32' ' ' TYR . 1.8 tp -54.42 -48.38 71.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.3 ttp -75.93 -31.13 58.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 111.037 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.67 -13.03 78.23 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.528 1.142 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.75 -51.09 3.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.525 0.78 . . . . 0.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.846 ' CE1' HD13 ' A' ' 11' ' ' LEU . 6.0 m-85 -80.85 113.72 42.63 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.945 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -39.97 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.497 1.788 . . . . 0.0 111.029 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -60.8 -31.88 71.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 110.991 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.56 ' CD2' ' CZ2' ' A' ' 47' ' ' TRP . 2.5 m-85 -69.63 -40.29 76.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.986 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -81.05 -11.21 59.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 0.0 110.272 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -100.86 -47.29 1.63 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.438 1.086 . . . . 0.0 111.012 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 52.5 m -69.48 -74.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 0.733 . . . . 0.0 109.993 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.424 ' O ' ' CG ' ' A' ' 44' ' ' TYR . 1.5 p90 -174.67 132.81 0.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 111.015 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.555 HG23 ' CZ2' ' A' ' 47' ' ' TRP . 10.2 m -98.66 47.87 0.98 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.362 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -123.82 57.02 0.67 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.487 1.117 . . . . 0.0 111.02 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.56 ' CZ2' ' CD2' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -126.91 12.36 7.25 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.058 -1.089 . . . . 0.0 108.058 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.0 mtm180 -61.16 -23.73 65.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.294 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -74.93 -52.69 10.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.279 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.68 -38.4 73.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.025 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.824 HG13 HD11 ' A' ' 12' ' ' ILE . 4.8 t -62.3 -57.21 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.582 ' HG3' ' CH2' ' A' ' 78' ' ' TRP . 41.7 ttt180 -54.89 -44.64 74.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.347 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.479 ' CD2' HD13 ' A' ' 57' ' ' LEU . 4.0 t-160 -56.39 -57.79 10.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.1 . . . . 0.0 109.615 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.37 -26.98 68.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.914 HD13 ' CZ3' ' A' ' 78' ' ' TRP . 0.3 OUTLIER -58.88 -52.67 64.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 t -81.8 -23.79 36.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.978 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.479 HD13 ' CD2' ' A' ' 53' ' ' HIS . 0.5 OUTLIER -78.99 1.06 25.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -119.46 -51.81 2.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.579 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . 1.0 OUTLIER -80.91 -58.68 2.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.527 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.8 OUTLIER 90.4 69.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 108.326 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.741 ' HZ ' HD22 ' A' ' 55' ' ' LEU . 5.6 p90 -133.73 -163.36 1.35 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 110.999 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 49.0 t -119.69 156.87 22.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.613 ' HB2' ' CD1' ' A' ' 78' ' ' TRP . 0.0 OUTLIER -119.01 151.11 38.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.509 ' CG2' ' O ' ' A' ' 77' ' ' TYR . 19.2 m -130.03 65.86 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.97 153.0 36.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.138 . . . . 0.0 109.344 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 40.74 71.14 0.21 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.296 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.466 ' OD1' ' N ' ' A' ' 68' ' ' PRO . 2.8 t0 -119.53 145.18 38.36 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.466 ' N ' ' OD1' ' A' ' 67' ' ' ASP . 18.3 Cg_endo -74.99 65.78 6.04 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.491 1.785 . . . . 0.0 110.985 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.444 ' CB ' ' OH ' ' A' ' 77' ' ' TYR . 0.2 OUTLIER -127.73 -43.98 1.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.969 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.437 ' N ' ' HD3' ' A' ' 71' ' ' PRO . 7.7 mtt180 -133.95 62.63 58.6 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 110.344 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.437 ' HD3' ' N ' ' A' ' 70' ' ' ARG . 18.3 Cg_endo -74.98 56.98 4.41 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.474 1.776 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 51.9 m95 -114.25 -41.7 3.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 107.993 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -116.06 -141.36 7.21 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.529 1.143 . . . . 0.0 110.997 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.2 19.72 2.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 0.781 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.628 ' OD1' ' HB1' ' A' ' 27' ' ' ALA . 68.3 m-20 -89.12 178.59 6.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -159.78 169.29 23.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.265 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.553 ' CD1' ' N ' ' A' ' 77' ' ' TYR . 1.6 p90 -139.5 162.36 35.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 111.044 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.914 ' CZ3' HD13 ' A' ' 55' ' ' LEU . 16.9 m0 -118.33 161.22 20.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 107.998 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.434 ' HA ' ' CB ' ' A' ' 23' ' ' ARG . 2.2 ptm -119.29 113.6 21.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.738 HD23 ' H ' ' A' ' 80' ' ' LEU . 2.5 pt? -121.05 141.04 51.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 23.1 p-10 -146.41 144.28 20.7 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.168 0 O-C-N 124.504 1.792 . . . . 0.0 111.005 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 N--CA 1.452 -0.355 0 CA-C-O 120.523 0.202 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.417 HG13 ' N ' ' A' ' 10' ' ' ALA . 46.0 pt -65.07 -42.86 95.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.417 ' N ' HG13 ' A' ' 9' ' ' ILE . . . -59.7 -49.52 77.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.853 HD21 HD21 ' A' ' 33' ' ' LEU . 0.5 OUTLIER -56.24 -44.1 79.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.253 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.764 HD12 HD23 ' A' ' 11' ' ' LEU . 1.1 mp -63.13 -40.81 90.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.426 HG22 ' HD2' ' A' ' 17' ' ' ARG . 4.4 m -57.45 -55.81 30.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.404 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.415 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 3.1 ptt? -62.67 -26.27 68.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.565 ' HB1' HG23 ' A' ' 29' ' ' ILE . . . -73.25 -48.98 30.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.356 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.773 HD11 HD22 ' A' ' 80' ' ' LEU . 0.4 OUTLIER -74.34 -19.04 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.426 ' HD2' HG22 ' A' ' 13' ' ' THR . 2.2 mtt180 -72.42 -2.51 19.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 110.324 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.464 ' HB3' HD12 ' A' ' 24' ' ' LEU . 2.0 t70 -65.03 -11.33 37.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.405 ' OG ' ' N ' ' A' ' 20' ' ' ALA . 9.1 p -95.04 -146.12 0.27 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.029 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.405 ' N ' ' OG ' ' A' ' 19' ' ' SER . . . -155.96 25.6 0.37 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 80' ' ' LEU . . . 82.28 39.99 10.63 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.564 1.165 . . . . 0.0 111.032 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 80' ' ' LEU . . . -138.02 -68.98 0.05 OUTLIER Glycine 0 CA--C 1.531 1.048 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.0 ptt180 -161.43 150.89 16.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 0.787 . . . . 0.0 110.325 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.868 HD21 HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -161.06 153.89 20.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.351 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -99.94 116.16 31.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.44 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.96 HD11 HD12 ' A' ' 55' ' ' LEU . 1.3 mm? -63.67 -25.94 68.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.432 ' HB2' ' HA ' ' A' ' 75' ' ' ASP . . . -55.54 -48.95 73.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -67.66 -34.9 77.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.565 HG23 ' HB1' ' A' ' 15' ' ' ALA . 1.2 mp -60.05 -57.32 12.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.499 ' N ' HG22 ' A' ' 29' ' ' ILE . 74.3 m-20 -62.99 -29.63 70.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -58.21 -51.61 69.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 110.325 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.613 ' CD1' ' C ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -79.15 -25.31 42.87 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.107 . . . . 0.0 110.995 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.853 HD21 HD21 ' A' ' 11' ' ' LEU . 2.6 tp -58.88 -49.42 77.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 0.0 109.307 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 5.9 mtp -79.05 -19.78 50.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 111.019 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -80.14 -38.75 17.77 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.516 1.135 . . . . 0.0 110.936 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -82.36 -37.05 26.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 0.766 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.786 ' CZ ' HD12 ' A' ' 11' ' ' LEU . 5.8 m-85 -108.87 107.26 59.91 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -29.64 8.03 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.507 1.793 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -54.4 -39.55 67.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 111.044 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -77.19 -36.07 55.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 110.982 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -80.98 4.67 18.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -118.27 -40.42 0.68 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.589 1.181 . . . . 0.0 110.963 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.9 m -69.81 -75.73 0.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 0.756 . . . . 0.0 110.005 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.557 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 1.8 p90 -170.1 123.37 0.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 111.012 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 71.7 p -91.23 33.14 0.98 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 110.366 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -100.37 42.43 1.96 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.469 1.106 . . . . 0.0 110.955 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.406 ' CD1' ' O ' ' A' ' 44' ' ' TYR . 2.3 p-90 -124.16 3.72 8.57 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 15.1 ttm180 -50.17 -36.44 30.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.439 ' H ' ' ND2' ' A' ' 49' ' ' ASN . 2.9 p30 -80.14 -51.0 9.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 82.3 p -53.89 -44.8 70.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.989 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.544 ' CG2' HD11 ' A' ' 12' ' ' ILE . 0.9 OUTLIER -68.94 -55.29 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.528 ' HG3' ' CZ2' ' A' ' 78' ' ' TRP . 10.3 ttm105 -48.03 -29.79 3.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.314 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -76.09 -52.65 9.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.616 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.416 ' O ' ' HB2' ' A' ' 58' ' ' ASN . 0.7 OUTLIER -66.3 -17.63 64.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.123 . . . . 0.0 109.264 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.96 HD12 HD11 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -80.17 -48.63 12.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.42 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -64.99 -42.47 94.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.996 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.948 ' O ' HD12 ' A' ' 57' ' ' LEU . 0.4 OUTLIER -80.78 1.44 30.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.416 ' HB2' ' O ' ' A' ' 54' ' ' ASN . 0.8 OUTLIER -80.62 -72.55 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.506 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 1.6 m-20 -80.89 -36.63 30.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.5 OUTLIER 88.2 57.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 108.325 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.597 ' CE1' ' CE3' ' A' ' 78' ' ' TRP . 1.0 OUTLIER -119.23 -167.71 1.45 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.5 ' CG1' ' SD ' ' A' ' 79' ' ' MET . 5.3 p -119.17 146.21 24.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.468 ' HA ' ' HA ' ' A' ' 78' ' ' TRP . 0.0 OUTLIER -118.96 163.06 17.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.337 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.591 HG22 ' O ' ' A' ' 64' ' ' VAL . 0.1 OUTLIER -139.56 94.63 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.41 ' HA ' ' CB ' ' A' ' 76' ' ' ASN . 0.8 OUTLIER -87.55 116.39 25.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.335 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 61.18 107.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.31 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.523 ' CB ' ' HD3' ' A' ' 68' ' ' PRO . 0.1 OUTLIER 172.64 -54.05 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.523 ' HD3' ' CB ' ' A' ' 67' ' ' ASP . 18.2 Cg_endo -74.98 -45.43 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.476 1.777 . . . . 0.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.16 -18.16 14.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.03 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.487 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 3.7 mmm180 38.46 62.1 4.5 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.295 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.45 ' HD3' ' N ' ' A' ' 70' ' ' ARG . 18.4 Cg_endo -75.04 -166.51 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.478 1.778 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 44.8 p90 -94.72 26.05 3.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 107.977 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.74 86.23 0.51 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.508 1.13 . . . . 0.0 110.953 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -166.45 -42.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 0.766 . . . . 0.0 109.304 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.432 ' HA ' ' HB2' ' A' ' 27' ' ' ALA . 82.7 m-20 -122.49 147.62 46.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.41 ' CB ' ' HA ' ' A' ' 65' ' ' LEU . 1.0 OUTLIER -138.73 175.57 9.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.341 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -122.51 142.2 50.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.969 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.863 ' CZ3' HD13 ' A' ' 55' ' ' LEU . 12.0 m0 -118.46 140.42 49.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.128 . . . . 0.0 107.97 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.5 ' SD ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -119.22 102.84 9.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.976 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.773 HD22 HD11 ' A' ' 16' ' ' ILE . 1.0 OUTLIER -121.15 137.29 54.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.346 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 38.7 p-10 -142.22 157.95 62.26 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.133 0 O-C-N 124.479 1.779 . . . . 0.0 111.012 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.483 0.182 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.0 pt -56.9 -30.99 34.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.26 -51.55 43.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.102 . . . . 0.0 109.276 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.696 ' C ' HD12 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -54.03 -48.99 69.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 1.003 HD11 HG13 ' A' ' 51' ' ' VAL . 1.0 OUTLIER -62.58 -43.88 98.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.5 m -53.48 -47.68 69.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.346 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.451 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 5.3 ptt? -76.12 -18.23 59.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 111.047 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.513 ' HB1' HG13 ' A' ' 29' ' ' ILE . . . -76.34 -49.04 17.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.86 ' HA ' HD13 ' A' ' 24' ' ' LEU . 15.2 mm -73.58 -31.95 34.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.59 -15.88 8.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 110.282 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.492 ' HB2' HD11 ' A' ' 29' ' ' ILE . 32.7 t70 -58.15 -26.23 62.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.437 ' OG ' ' CB ' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -83.8 -149.63 0.1 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 109.967 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -166.25 30.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 85.58 43.24 6.57 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -142.44 -72.97 0.03 OUTLIER Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.48 ' HA ' ' HA ' ' A' ' 79' ' ' MET . 3.8 ppt_? -161.56 159.32 27.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 0.763 . . . . 0.0 110.302 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.86 HD13 ' HA ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -151.62 158.35 43.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.715 HG22 ' HB3' ' A' ' 77' ' ' TYR . 80.7 p -108.19 110.16 21.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.375 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.911 HD11 HD22 ' A' ' 55' ' ' LEU . 3.6 mm? -59.47 -32.46 70.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.499 ' HB1' ' OD1' ' A' ' 75' ' ' ASP . . . -59.05 -52.75 64.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.25 -45.68 87.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.678 HG12 HD11 ' A' ' 24' ' ' LEU . 0.6 OUTLIER -55.54 -30.58 26.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -72.22 -54.43 9.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -61.1 -25.39 66.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -80.69 -49.83 10.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.912 HD13 ' N ' ' A' ' 34' ' ' MET . 0.0 OUTLIER -59.58 -39.03 82.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.912 ' N ' HD13 ' A' ' 33' ' ' LEU . 13.9 mtt -65.33 -49.2 70.32 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.529 1.143 . . . . 0.0 111.018 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.2 -8.41 50.07 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.528 1.142 . . . . 0.0 111.012 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.64 -23.71 12.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 0.767 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.429 ' CE1' ' HE2' ' A' ' 14' ' ' MET . 8.3 m-85 -125.04 96.74 39.31 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 110.998 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -32.99 5.01 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.497 1.788 . . . . 0.0 111.037 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -62.69 -33.3 74.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.738 ' CE2' ' CD2' ' A' ' 47' ' ' TRP . 1.0 OUTLIER -75.01 -26.82 59.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 111.004 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 39.6 ttt-85 -88.47 17.35 5.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.298 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -143.44 53.94 0.59 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.48 1.113 . . . . 0.0 111.041 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.6 m -155.41 -71.47 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 0.767 . . . . 0.0 110.014 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.566 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 5.1 p90 -163.99 105.99 0.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 58.6 p -74.38 57.61 0.71 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.338 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -138.58 25.95 2.81 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.5 1.125 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.738 ' CD2' ' CE2' ' A' ' 40' ' ' PHE . 0.9 OUTLIER -100.28 -4.31 29.58 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.45 ' HG3' ' CZ3' ' A' ' 47' ' ' TRP . 11.1 mtp180 -60.08 -29.94 68.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 110.31 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -74.42 -54.86 6.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 19.7 m -63.95 -36.3 83.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.009 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 1.003 HG13 HD11 ' A' ' 12' ' ' ILE . 10.7 t -64.67 -56.85 13.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.57 ' HG2' ' CH2' ' A' ' 78' ' ' TRP . 41.8 mtm180 -55.3 -44.7 76.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.117 . . . . 0.0 110.346 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.403 ' O ' HD23 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -55.21 -55.49 30.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.592 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -65.73 -22.46 66.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.911 HD22 HD11 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -61.9 -50.91 70.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.574 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -81.23 -26.72 35.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.008 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.403 HD23 ' O ' ' A' ' 53' ' ' HIS . 4.1 mm? -80.81 1.07 32.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 20.9 t30 -106.82 -74.16 0.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.554 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 0.3 OUTLIER -66.47 -53.5 34.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.26 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.543 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 1.2 t 91.3 65.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 108.27 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.574 ' CE1' ' HA ' ' A' ' 56' ' ' SER . 0.2 OUTLIER -119.12 -166.19 1.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.982 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -117.02 165.06 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.527 ' HE2' ' CE2' ' A' ' 78' ' ' TRP . 26.4 ttmt -119.33 150.66 39.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.425 ' N ' ' HG2' ' A' ' 63' ' ' LYS . 44.2 t -124.32 82.15 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.2 tp -82.13 -53.02 6.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.444 ' CZ ' ' HB3' ' A' ' 66' ' ' ARG . 1.5 mtp-105 -98.65 106.98 19.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.269 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 177.49 108.15 0.13 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 63.99 6.03 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.448 1.762 . . . . 0.0 110.993 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.9 m -107.45 -42.4 4.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 110.055 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.423 ' N ' ' HD3' ' A' ' 71' ' ' PRO . 0.7 OUTLIER -136.18 63.43 49.87 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.321 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.423 ' HD3' ' N ' ' A' ' 70' ' ' ARG . 18.5 Cg_endo -75.0 55.26 3.9 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.55 1.816 . . . . 0.0 110.996 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 6.9 p-90 -178.36 38.73 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.529 1.143 . . . . 0.0 107.981 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -95.38 -70.27 1.07 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.116 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.46 ' HB3' ' CB ' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -173.39 -46.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 0.767 . . . . 0.0 109.256 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.499 ' OD1' ' HB1' ' A' ' 27' ' ' ALA . 3.1 m-20 -161.78 -66.52 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 -162.46 149.33 13.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.715 ' HB3' HG22 ' A' ' 25' ' ' THR . 5.4 p90 -120.65 156.57 31.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 111.053 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.722 ' CG ' HD23 ' A' ' 26' ' ' LEU . 13.6 m0 -113.12 157.78 21.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.14 . . . . 0.0 107.991 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.48 ' HA ' ' HA ' ' A' ' 23' ' ' ARG . 2.9 mtp -119.36 110.62 17.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 111.052 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.553 HD13 ' CG2' ' A' ' 16' ' ' ILE . 0.6 OUTLIER -118.92 141.41 48.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 -145.43 157.91 51.69 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.202 0 O-C-N 124.466 1.772 . . . . 0.0 111.0 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.479 0.18 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.4 pp -54.61 -37.74 40.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.89 -42.37 94.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.724 ' C ' HD12 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -57.07 -51.25 70.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.921 ' CD1' HD12 ' A' ' 55' ' ' LEU . 9.2 mm -56.02 -49.72 73.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.353 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.433 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 19.2 m -48.69 -53.22 19.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 110.433 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.46 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 8.2 ptt? -72.14 -13.57 61.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 111.024 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 12' ' ' ILE . . . -79.62 -45.61 18.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.923 HD11 ' CG ' ' A' ' 55' ' ' LEU . 9.6 mm -80.59 -20.86 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.433 ' HB2' ' O ' ' A' ' 13' ' ' THR . 0.1 OUTLIER -64.01 -10.03 19.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 110.302 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.477 ' CB ' HD11 ' A' ' 29' ' ' ILE . 6.7 t70 -63.19 -33.17 74.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.406 ' OG ' ' N ' ' A' ' 20' ' ' ALA . 10.5 p -84.3 -144.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.128 . . . . 0.0 109.971 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.406 ' N ' ' OG ' ' A' ' 19' ' ' SER . . . -167.86 31.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 84.96 43.23 6.81 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.496 1.122 . . . . 0.0 110.969 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 80' ' ' LEU . . . -143.89 -70.37 0.02 OUTLIER Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.592 ' NH2' ' CE2' ' A' ' 72' ' ' TRP . 5.8 ptt85 -161.32 159.64 28.73 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.511 0.771 . . . . 0.0 110.258 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.756 HD13 ' HA ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -158.0 162.89 38.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.637 HG22 ' HB3' ' A' ' 77' ' ' TYR . 65.3 p -109.68 120.19 41.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 110.414 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.876 HD11 HD22 ' A' ' 55' ' ' LEU . 3.0 mm? -71.97 -25.38 61.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.61 -57.93 7.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.57 -39.17 92.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 110.311 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.508 HG22 ' N ' ' A' ' 30' ' ' ASN . 1.2 mp -59.23 -57.14 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.508 ' N ' HG22 ' A' ' 29' ' ' ILE . 60.2 m-20 -49.68 -43.01 46.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -70.3 -24.02 62.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.309 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.407 ' N ' ' O ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -80.97 -37.76 28.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.984 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 1.01 HD13 ' N ' ' A' ' 34' ' ' MET . 0.0 OUTLIER -69.1 -43.82 73.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' MET . . . . . 1.01 ' N ' HD13 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -62.41 -44.06 97.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.998 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.64 -5.13 67.69 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -106.01 -36.64 6.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 0.784 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.702 ' CD2' ' CD2' ' A' ' 33' ' ' LEU . 9.9 m-30 -103.51 106.74 53.39 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.408 ' HA ' ' HG2' ' A' ' 41' ' ' ARG . 18.1 Cg_endo -75.06 -19.34 17.82 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.476 1.777 . . . . 0.0 110.951 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -78.07 -28.26 48.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.768 ' CD2' ' CZ2' ' A' ' 47' ' ' TRP . 0.0 OUTLIER -78.74 -33.8 46.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.408 ' HG2' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -86.46 11.59 12.18 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.475 1.109 . . . . 0.0 110.264 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -128.14 24.74 5.01 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.48 1.112 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 69.8 m -138.25 -76.81 0.38 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 0.791 . . . . 0.0 110.011 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.554 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 1.9 p90 -168.33 118.51 0.77 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.562 ' O ' HG23 ' A' ' 45' ' ' THR . 9.6 t -85.75 60.55 6.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.14 . . . . 0.0 110.374 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -137.36 41.73 1.37 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.768 ' CZ2' ' CD2' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -115.48 13.95 16.56 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 15.5 ttt-85 -61.22 -25.75 67.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 31.5 t-20 -73.5 -53.37 10.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.413 1.071 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.4 -26.93 62.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.995 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 47' ' ' TRP . 4.5 t -73.13 -59.49 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.419 ' HG3' ' N ' ' A' ' 53' ' ' HIS . 0.8 OUTLIER -57.9 -33.73 69.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 110.339 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.419 ' N ' ' HG3' ' A' ' 52' ' ' ARG . 20.2 t60 -64.41 -55.62 19.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.602 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.455 ' O ' ' N ' ' A' ' 58' ' ' ASN . 1.2 t30 -64.34 -31.29 72.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.923 ' CG ' HD11 ' A' ' 16' ' ' ILE . 0.4 OUTLIER -57.2 -48.68 78.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.571 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 1.6 t -77.55 -33.44 54.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.027 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.6 mp -80.85 0.97 32.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 54' ' ' ASN . 2.5 m-20 -96.46 -92.26 0.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.562 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 0.4 OUTLIER -53.67 -46.33 70.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.5 OUTLIER 88.82 62.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 108.301 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.589 ' HE2' HG21 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -119.22 -164.74 1.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 111.009 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 76.1 t -115.86 158.33 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.273 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.566 ' HB2' ' CD1' ' A' ' 78' ' ' TRP . 0.0 OUTLIER -119.05 160.39 22.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.413 ' O ' ' C ' ' A' ' 65' ' ' LEU . 99.0 t -118.95 116.2 50.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 64' ' ' VAL . 0.8 OUTLIER -39.46 152.82 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.8 ttt180 -52.22 106.5 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.352 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -105.85 115.09 62.04 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 79.3 2.71 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.488 1.783 . . . . 0.0 110.971 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -172.8 -72.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 110.043 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.446 ' HB2' ' CE1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -38.69 99.14 0.19 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.289 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -10.37 21.18 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.489 1.784 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.592 ' CE2' ' NH2' ' A' ' 23' ' ' ARG . 13.4 m95 -43.88 -52.8 6.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 108.01 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -99.21 -144.39 16.5 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.502 1.126 . . . . 0.0 110.952 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.98 22.6 0.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 0.752 . . . . 0.0 109.285 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -166.3 -65.2 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 48.2 p-10 -163.82 168.41 19.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.637 ' HB3' HG22 ' A' ' 25' ' ' THR . 2.5 p90 -137.0 159.46 41.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 110.995 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.751 ' CZ3' HD23 ' A' ' 55' ' ' LEU . 27.3 m0 -114.71 165.46 12.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 107.984 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 11.2 ttm -124.16 109.45 13.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.494 ' CB ' ' HB3' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -118.21 150.74 38.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 109.298 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -166.92 140.82 3.15 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.15 0 O-C-N 124.529 1.805 . . . . 0.0 111.013 -179.974 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.499 0.19 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 13.7 tt -67.94 -47.5 78.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 109.332 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.07 -38.4 88.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.937 HD21 HD21 ' A' ' 33' ' ' LEU . 2.6 tp -59.17 -53.35 59.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 1.051 ' O ' HG22 ' A' ' 16' ' ' ILE . 1.1 mp -63.6 -36.15 75.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.3 m -59.15 -50.79 72.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.408 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.731 ' CE ' HD12 ' A' ' 11' ' ' LEU . 6.1 ptt? -69.52 -25.54 64.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.855 ' HB1' HG23 ' A' ' 29' ' ' ILE . . . -71.9 -58.38 3.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 1.051 HG22 ' O ' ' A' ' 12' ' ' ILE . 0.5 OUTLIER -67.9 -25.14 31.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.69 -14.7 6.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.098 . . . . 0.0 110.293 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -53.9 -19.95 5.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.451 ' OG ' ' N ' ' A' ' 20' ' ' ALA . 5.4 p -88.35 -146.12 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.953 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.451 ' N ' ' OG ' ' A' ' 19' ' ' SER . . . -168.84 36.41 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.0 44.84 7.94 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.47 1.106 . . . . 0.0 111.037 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 80' ' ' LEU . . . -147.08 -67.96 0.01 OUTLIER Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.07 144.69 13.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.566 0.803 . . . . 0.0 110.287 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.05 ' O ' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -138.18 148.29 44.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.273 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.626 ' N ' HD22 ' A' ' 24' ' ' LEU . 6.6 p -99.32 116.76 32.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.431 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.773 HD22 HD21 ' A' ' 24' ' ' LEU . 1.2 mm? -74.22 -22.89 59.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.404 ' CB ' ' HB2' ' A' ' 75' ' ' ASP . . . -61.24 -52.61 64.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.09 -40.18 71.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.855 HG23 ' HB1' ' A' ' 15' ' ' ALA . 1.2 mp -55.31 -52.34 46.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -70.54 -29.2 65.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -57.67 -49.19 77.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.946 ' CE1' HD12 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -78.72 -29.43 45.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.946 HD12 ' CE1' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -58.11 -52.19 66.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 10.6 ttt -70.74 -25.76 63.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -78.82 -27.82 55.9 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.48 -29.89 16.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 0.794 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.448 ' CE2' ' CD1' ' A' ' 11' ' ' LEU . 9.7 m-85 -133.3 87.07 39.46 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.973 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -55.16 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.55 1.816 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.431 ' CD1' ' N ' ' A' ' 40' ' ' PHE . 18.5 p90 -59.94 -25.89 65.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.601 ' CE1' ' OH ' ' A' ' 44' ' ' TYR . 1.9 t80 -71.61 -16.07 62.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.967 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.564 ' HD2' ' CE3' ' A' ' 47' ' ' TRP . 3.8 ttt180 -98.84 29.56 3.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.324 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -154.1 60.37 0.39 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.2 m -139.34 -66.4 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 0.0 109.995 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.601 ' OH ' ' CE1' ' A' ' 40' ' ' PHE . 6.1 p90 -116.77 146.19 42.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 42.3 m -82.8 48.68 1.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.415 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -150.59 70.53 0.31 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.679 ' O ' HG23 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -101.69 -82.45 0.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.8 ttm-85 -52.07 -26.34 10.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.312 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -73.53 -52.54 13.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.309 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 52.3 p -71.98 -25.8 62.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.021 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.88 HG13 HD11 ' A' ' 12' ' ' ILE . 50.3 t -68.63 -56.68 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.548 ' HG3' ' CH2' ' A' ' 78' ' ' TRP . 1.1 ttt180 -63.82 -33.57 75.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.284 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.801 ' O ' HD12 ' A' ' 57' ' ' LEU . 1.6 m-70 -62.06 -57.44 11.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 109.582 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -66.99 -31.95 72.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.347 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.909 HD13 ' CZ3' ' A' ' 78' ' ' TRP . 4.7 mt -58.74 -55.21 38.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.414 ' O ' ' HA ' ' A' ' 60' ' ' CYS . 0.0 OUTLIER -74.77 -29.49 61.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.008 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.801 HD12 ' O ' ' A' ' 53' ' ' HIS . 5.2 mt -80.89 1.03 32.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.409 ' OD1' ' C ' ' A' ' 58' ' ' ASN . 12.8 t-20 -95.42 -88.98 0.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 0.9 OUTLIER -81.08 -38.15 27.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.5 OUTLIER 88.06 84.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 108.317 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.612 ' CZ ' ' O ' ' A' ' 55' ' ' LEU . 0.7 OUTLIER -127.09 -167.19 1.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.992 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.8 p -117.77 162.87 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.83 ' HD3' HD23 ' A' ' 65' ' ' LEU . 1.0 OUTLIER -119.05 146.41 45.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.553 HG12 ' O ' ' A' ' 77' ' ' TYR . 7.6 p -126.26 62.1 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.83 HD23 ' HD3' ' A' ' 63' ' ' LYS . 2.2 pp -66.62 -36.97 83.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.7 ttt85 -93.83 103.56 15.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 110.318 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.99 125.61 3.71 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 109.253 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 62.91 5.93 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.476 1.777 . . . . 0.0 111.016 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.85 69.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.997 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.0 64.46 2.29 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.244 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 56.57 4.29 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.502 1.791 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.435 ' CB ' ' CG ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -115.23 -44.05 3.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 107.974 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 149.17 -66.43 0.38 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.463 1.102 . . . . 0.0 110.948 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.3 ptmm? -151.32 38.22 0.63 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 0.789 . . . . 0.0 109.307 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.435 ' CG ' ' CB ' ' A' ' 72' ' ' TRP . 34.1 p-10 -106.37 139.42 40.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 14.6 p30 -143.99 -173.08 3.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.553 ' O ' HG12 ' A' ' 64' ' ' VAL . 4.1 p90 -150.43 165.32 33.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.909 ' CZ3' HD13 ' A' ' 55' ' ' LEU . 30.1 m0 -116.83 161.08 19.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 107.998 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.403 ' O ' ' HB2' ' A' ' 61' ' ' PHE . 2.2 ttp -115.95 121.49 42.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 111.055 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.73 HD13 HD11 ' A' ' 16' ' ' ILE . 1.6 pt? -129.5 135.51 48.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -152.25 107.28 2.79 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.153 0 O-C-N 124.448 1.762 . . . . 0.0 111.009 179.998 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.526 ' CE2' ' OH ' ' A' ' 44' ' ' TYR . 16.2 m-85 . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.526 0.203 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.2 pp -50.47 -27.84 4.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.02 -46.98 40.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.765 ' C ' HD12 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -54.8 -36.21 64.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.999 ' O ' HG22 ' A' ' 16' ' ' ILE . 1.0 OUTLIER -72.93 -46.22 52.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.345 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.514 ' O ' ' CG ' ' A' ' 17' ' ' ARG . 15.1 m -55.03 -45.61 75.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 110.418 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.42 ' HG3' ' N ' ' A' ' 15' ' ' ALA . 11.3 ptt? -71.12 -34.24 70.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.166 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.727 ' HB1' ' CG2' ' A' ' 29' ' ' ILE . . . -66.09 -62.3 1.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.999 HG22 ' O ' ' A' ' 12' ' ' ILE . 2.7 tp -60.96 -29.43 45.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.273 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.514 ' CG ' ' O ' ' A' ' 13' ' ' THR . 0.0 OUTLIER -55.84 -19.45 11.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.324 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.537 ' HB3' HD12 ' A' ' 24' ' ' LEU . 30.6 t0 -50.18 -33.48 19.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.247 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 60.1 p -85.14 -143.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.02 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -170.25 33.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.359 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 84.45 44.18 6.64 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.453 1.096 . . . . 0.0 110.981 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 80' ' ' LEU . . . -139.39 -72.84 0.05 OUTLIER Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -162.94 154.41 17.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 0.794 . . . . 0.0 110.294 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.948 HD21 HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -161.27 154.57 21.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 109.331 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.448 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 4.3 p -102.34 97.71 7.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.366 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 1.014 HD11 ' CD1' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -49.75 -33.37 16.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.492 ' CB ' ' HA ' ' A' ' 75' ' ' ASP . . . -55.57 -50.49 69.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.252 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -64.99 -32.99 74.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 0.0 110.29 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.727 ' CG2' ' HB1' ' A' ' 15' ' ' ALA . 1.2 mp -67.8 -35.52 72.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -70.95 -39.07 72.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -69.85 -30.1 67.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.329 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.522 ' CG ' ' N ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -80.64 -54.57 5.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 111.012 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.988 HD13 ' N ' ' A' ' 34' ' ' MET . 0.0 OUTLIER -53.71 -44.94 70.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.142 . . . . 0.0 109.299 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.988 ' N ' HD13 ' A' ' 33' ' ' LEU . 9.3 ttp -69.0 -43.21 75.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -59.76 -27.58 64.36 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.502 1.126 . . . . 0.0 111.0 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.09 -56.5 3.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 0.744 . . . . 0.0 109.328 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.589 ' CD1' HD22 ' A' ' 33' ' ' LEU . 13.5 m-85 -69.76 114.32 23.86 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 111.047 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 -37.73 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.45 1.763 . . . . 0.0 110.978 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -62.9 -30.87 71.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -77.3 -20.69 54.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 111.036 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.2 ttt-85 -90.97 29.19 1.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -121.35 -63.94 0.24 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.473 1.108 . . . . 0.0 111.022 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 45' ' ' THR . 1.3 m -134.65 -64.82 0.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 0.74 . . . . 0.0 109.965 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.526 ' OH ' ' CE2' ' A' ' 8' ' ' TYR . 3.5 t80 -38.38 96.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.428 ' N ' ' O ' ' A' ' 43' ' ' SER . 3.3 m -134.6 -42.81 0.76 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.412 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -74.19 57.07 2.35 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.523 1.14 . . . . 0.0 110.971 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.691 ' CE3' HG21 ' A' ' 51' ' ' VAL . 6.0 p-90 -125.67 4.77 7.48 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.507 ' O ' ' CG ' ' A' ' 52' ' ' ARG . 2.4 ttm180 -60.38 -29.8 69.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.277 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.409 ' O ' ' HG3' ' A' ' 52' ' ' ARG . 11.8 m120 -72.71 -49.28 32.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.7 t -69.43 -38.1 77.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.991 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.775 HG13 HD11 ' A' ' 12' ' ' ILE . 2.9 t -68.88 -61.63 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.507 ' CG ' ' O ' ' A' ' 48' ' ' ARG . 0.3 OUTLIER -52.8 -32.04 41.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.278 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.509 ' O ' ' CB ' ' A' ' 57' ' ' LEU . 2.1 t-80 -70.32 -48.36 56.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.609 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -74.31 -9.44 58.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.123 . . . . 0.0 109.277 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 1.014 ' CD1' HD11 ' A' ' 26' ' ' LEU . 0.4 OUTLIER -82.27 -53.83 5.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.565 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -81.37 -13.09 58.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.986 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.509 ' CB ' ' O ' ' A' ' 53' ' ' HIS . 2.1 tp -81.13 -29.98 34.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -89.51 -77.36 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.648 ' HB3' ' CD2' ' A' ' 61' ' ' PHE . 0.6 OUTLIER -44.96 -42.87 8.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.6 m 68.48 55.97 0.48 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 108.333 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.667 ' HZ ' HD22 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -118.75 -165.94 1.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 111.022 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 50.1 t -119.33 158.55 20.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 78' ' ' TRP . 2.8 ptpt -130.55 173.68 10.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.48 HG22 ' O ' ' A' ' 77' ' ' TYR . 0.8 OUTLIER -119.72 126.31 75.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 109.311 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.8 tp -85.3 100.4 11.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 42.49 77.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.409 ' HB2' HG21 ' A' ' 64' ' ' VAL . 0.2 OUTLIER -78.4 162.67 65.37 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 63.26 5.92 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.477 1.778 . . . . 0.0 110.974 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 66.3 m -132.55 -46.51 0.89 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.12 . . . . 0.0 110.005 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -131.14 67.33 80.54 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.275 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 55.73 4.03 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.453 1.765 . . . . 0.0 111.013 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 14.5 t-105 -114.65 -41.5 3.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 108.006 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 103.53 66.52 0.73 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.555 1.159 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 172.1 47.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 0.759 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.492 ' HA ' ' CB ' ' A' ' 27' ' ' ALA . 0.3 OUTLIER -178.58 145.21 0.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.404 ' O ' ' HA ' ' A' ' 25' ' ' THR . 3.8 t-20 -140.32 146.29 38.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.339 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.48 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.2 OUTLIER -119.16 131.95 55.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 111.032 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.799 ' CD2' HD23 ' A' ' 26' ' ' LEU . 15.2 m0 -116.96 141.65 47.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 107.993 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.628 ' O ' ' HE2' ' A' ' 79' ' ' MET . 0.1 OUTLIER -119.01 108.46 14.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.802 HD22 HD11 ' A' ' 16' ' ' ILE . 0.8 OUTLIER -120.42 154.2 35.48 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.5 ' ND2' ' HD2' ' A' ' 82' ' ' PRO . 7.0 t-20 -172.68 144.5 1.29 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.5 ' HD2' ' ND2' ' A' ' 81' ' ' ASN . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.165 0 O-C-N 124.501 1.79 . . . . 0.0 110.951 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.479 ' HA ' HD23 ' A' ' 11' ' ' LEU . 17.3 m-85 . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.532 0.206 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.3 pt -57.62 -37.54 59.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.27 -56.1 12.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.767 HD13 HD23 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -48.19 -38.83 19.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.348 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 1.106 HD11 HG13 ' A' ' 51' ' ' VAL . 16.9 mm -67.8 -47.54 79.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.09 . . . . 0.0 109.327 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.4 m -53.68 -50.69 65.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.357 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.563 ' HE2' ' CE1' ' A' ' 37' ' ' PHE . 2.1 ptt? -74.28 -20.63 60.08 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.451 1.095 . . . . 0.0 111.005 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.537 ' HB2' ' O ' ' A' ' 11' ' ' LEU . . . -69.34 -53.1 21.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.856 HD11 ' CG ' ' A' ' 55' ' ' LEU . 5.7 mm -73.43 -29.46 27.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.157 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.11 -21.68 0.79 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.31 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.403 ' N ' ' C ' ' A' ' 16' ' ' ILE . 10.4 t0 -52.98 -30.5 35.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.1 p -91.87 -146.03 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.001 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -170.08 32.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 80' ' ' LEU . . . 85.47 43.16 6.64 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.568 1.167 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 80' ' ' LEU . . . -140.56 -69.39 0.04 OUTLIER Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.39 159.92 28.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 0.756 . . . . 0.0 110.335 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.649 HD13 ' HA ' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -155.32 157.87 37.85 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.409 ' HA ' ' HA ' ' A' ' 77' ' ' TYR . 0.3 OUTLIER -110.9 98.3 7.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 110.426 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.809 HD11 ' CD2' ' A' ' 55' ' ' LEU . 3.2 mm? -51.54 -30.8 21.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.39 -53.35 53.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -73.27 -38.49 65.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.282 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.648 ' CG1' HD12 ' A' ' 24' ' ' LEU . 1.1 mp -60.49 -39.23 80.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 58.0 m-20 -73.68 -36.65 65.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.142 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -57.88 -42.49 84.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.347 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.715 ' CD1' ' C ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -81.05 -41.77 22.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.959 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.906 ' O ' HD22 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -49.01 -42.7 39.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.574 1.171 . . . . 0.0 109.307 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.866 ' N ' HD13 ' A' ' 33' ' ' LEU . 19.4 ttp -77.32 -46.1 24.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -59.47 -18.57 44.43 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.522 1.139 . . . . 0.0 110.958 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.58 -28.27 13.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 0.764 . . . . 0.0 109.332 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.563 ' CE1' ' HE2' ' A' ' 14' ' ' MET . 3.7 m-85 -105.67 107.95 60.46 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -37.65 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.55 1.816 . . . . 0.0 111.033 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -57.2 -35.16 69.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 110.954 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.755 ' CE2' ' CE2' ' A' ' 47' ' ' TRP . 0.0 OUTLIER -80.42 -23.72 40.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 -89.18 8.39 30.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -139.76 51.45 0.74 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.53 1.144 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 54.8 m -156.45 -82.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 0.734 . . . . 0.0 109.967 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.552 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 2.2 p90 -159.19 119.97 3.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 111.035 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.512 HG22 ' O ' ' A' ' 45' ' ' THR . 19.7 m -86.37 57.91 4.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 110.409 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -137.36 50.12 0.83 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.496 1.122 . . . . 0.0 110.959 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.755 ' CE2' ' CE2' ' A' ' 40' ' ' PHE . 0.6 OUTLIER -125.79 9.42 7.61 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.88 -40.86 85.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -73.14 -50.75 20.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 29.7 t -59.48 -55.0 40.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 110.007 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 1.106 HG13 HD11 ' A' ' 12' ' ' ILE . 51.6 t -54.22 -46.84 68.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.569 ' HG2' ' CH2' ' A' ' 78' ' ' TRP . 50.8 mtt180 -57.43 -42.52 82.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -56.81 -58.2 9.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.613 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.489 ' O ' ' N ' ' A' ' 58' ' ' ASN . 1.8 t-20 -61.2 -37.51 83.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.989 HD12 HD12 ' A' ' 12' ' ' ILE . 0.8 OUTLIER -48.34 -50.28 30.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.576 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 1.1 t -81.37 -28.57 34.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.994 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.9 mp -80.81 3.48 22.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 0.0 109.326 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.489 ' N ' ' O ' ' A' ' 54' ' ' ASN . 29.6 t-20 -106.14 -67.67 0.92 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.572 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -75.6 -48.07 23.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.341 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.475 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.1 OUTLIER 85.72 64.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 108.288 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.599 ' CD2' ' HB3' ' A' ' 80' ' ' LEU . 0.2 OUTLIER -119.33 -163.26 0.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 111.01 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.42 ' O ' ' HB3' ' A' ' 78' ' ' TRP . 98.0 t -115.2 149.86 17.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.605 ' HB2' ' CD1' ' A' ' 78' ' ' TRP . 0.0 OUTLIER -117.6 150.5 38.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.601 HG12 ' O ' ' A' ' 77' ' ' TYR . 0.4 OUTLIER -119.89 142.76 33.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -151.65 24.85 0.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.577 1.173 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.72 81.44 1.9 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.279 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -155.3 163.27 25.13 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 67.48 6.0 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.47 1.774 . . . . 0.0 110.96 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.32 56.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 110.011 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.451 ' CZ ' ' CB ' ' A' ' 70' ' ' ARG . 9.2 mtm105 -137.41 89.4 16.0 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 83.95 1.74 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.453 1.765 . . . . 0.0 111.009 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 1.1 m95 66.82 13.39 9.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 108.022 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 77.59 117.92 0.19 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.47 1.106 . . . . 0.0 110.992 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 173.44 -42.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 0.772 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.83 104.51 14.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -146.27 -178.05 5.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.601 ' O ' HG12 ' A' ' 64' ' ' VAL . 2.7 p90 -150.51 160.16 43.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.973 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.715 ' CZ3' HD23 ' A' ' 55' ' ' LEU . 21.4 m0 -115.28 164.65 13.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 107.999 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -119.94 112.05 18.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.599 ' HB3' ' CD2' ' A' ' 61' ' ' PHE . 0.8 OUTLIER -118.67 151.11 38.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.08 . . . . 0.0 109.302 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 13.4 p-10 -156.18 157.48 31.21 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.546 1.814 . . . . 0.0 110.99 -179.985 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.444 ' HH ' ' HZ ' ' A' ' 40' ' ' PHE . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.466 0.174 . . . . 0.0 110.997 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 65.0 mt -61.63 -53.85 42.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.346 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.11 -32.48 71.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.249 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.808 HD21 HD21 ' A' ' 33' ' ' LEU . 0.8 OUTLIER -59.7 -50.67 72.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 109.288 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.821 HD11 HG22 ' A' ' 51' ' ' VAL . 0.6 OUTLIER -62.56 -40.5 88.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.424 ' OG1' ' ND2' ' A' ' 58' ' ' ASN . 51.7 m -56.28 -54.12 49.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.411 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.43 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 6.4 ptt? -65.48 -26.59 68.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 111.019 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.774 ' HB1' HG12 ' A' ' 29' ' ' ILE . . . -66.82 -52.7 40.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.891 ' HB ' HD21 ' A' ' 55' ' ' LEU . 0.7 OUTLIER -76.32 -20.11 15.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 109.307 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.56 -9.97 22.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.59 ' HB3' HD12 ' A' ' 24' ' ' LEU . 2.0 t0 -75.9 -4.86 43.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.743 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 1.1 p -70.05 -50.73 38.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.973 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.743 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 90.34 43.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 54.11 55.17 27.51 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.477 1.111 . . . . 0.0 111.042 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -163.34 -76.96 0.03 OUTLIER Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.437 ' HA ' ' O ' ' A' ' 78' ' ' TRP . 0.0 OUTLIER -162.5 160.66 26.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 0.766 . . . . 0.0 110.318 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.59 HD12 ' HB3' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -160.12 159.69 32.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.271 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.47 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 4.0 p -104.51 105.64 15.83 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.457 1.098 . . . . 0.0 110.427 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.714 HD23 ' CD2' ' A' ' 78' ' ' TRP . 0.6 OUTLIER -46.52 -29.09 1.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.492 ' HB2' ' HB3' ' A' ' 75' ' ' ASP . . . -52.8 -45.44 67.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.433 ' OE2' ' NE1' ' A' ' 72' ' ' TRP . 0.9 OUTLIER -70.98 -27.71 63.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.578 1.174 . . . . 0.0 110.299 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.774 HG12 ' HB1' ' A' ' 15' ' ' ALA . 1.1 mt -62.21 -59.06 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.478 ' N ' HG22 ' A' ' 29' ' ' ILE . 70.9 m-20 -66.32 -29.01 69.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.347 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -57.47 -50.15 73.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 110.296 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.621 ' CE1' HD12 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -80.49 -24.34 39.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.948 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.808 HD21 HD21 ' A' ' 11' ' ' LEU . 2.1 tp -64.01 -52.58 58.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.2 mtp -73.99 -30.29 62.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 111.014 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -80.13 -17.42 74.37 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.523 1.14 . . . . 0.0 111.012 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.493 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 5.6 tttp -103.02 -49.59 3.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 0.775 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -98.68 109.29 52.67 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 111.032 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -39.74 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.514 1.797 . . . . 0.0 110.975 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -52.62 -36.19 55.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.76 ' CE2' ' CE2' ' A' ' 47' ' ' TRP . 0.1 OUTLIER -74.08 -36.2 64.28 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.128 . . . . 0.0 111.009 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.4 ttt-85 -80.61 2.18 26.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.277 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -125.52 43.78 1.33 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.526 1.141 . . . . 0.0 110.968 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.4 m -152.14 -75.13 0.14 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.464 0.744 . . . . 0.0 110.011 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.562 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 1.7 p90 -173.12 115.43 0.26 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 111.043 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 74.6 p -86.79 50.75 2.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.407 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -126.72 39.59 1.95 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.493 1.121 . . . . 0.0 110.943 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.76 ' CE2' ' CE2' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -109.82 9.47 24.68 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.06 -24.44 39.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.251 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 44.4 m-20 -77.38 -52.76 8.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 109.361 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 87.0 p -68.7 -35.01 76.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.993 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.821 HG22 HD11 ' A' ' 12' ' ' ILE . 2.4 t -66.1 -54.97 21.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.426 ' CG ' ' CH2' ' A' ' 78' ' ' TRP . 1.5 tmm_? -55.78 -40.26 72.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.228 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.418 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 0.2 OUTLIER -60.63 -55.96 26.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.571 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -65.13 -16.65 63.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 1.008 HD13 ' CZ3' ' A' ' 78' ' ' TRP . 0.5 OUTLIER -71.11 -54.43 11.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.9 t -81.06 -21.85 39.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.969 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.418 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 4.5 tp -80.33 0.8 31.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.424 ' ND2' ' OG1' ' A' ' 13' ' ' THR . 59.5 t-20 -123.73 -54.13 1.75 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.147 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.6 ' HB3' ' CD2' ' A' ' 61' ' ' PHE . 0.3 OUTLIER -80.22 -50.22 10.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 34.0 m 75.56 69.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 108.288 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.86 ' CZ ' HD22 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -127.31 -165.46 1.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.989 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 85.1 t -118.74 152.82 20.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.515 ' HD3' ' CE2' ' A' ' 78' ' ' TRP . 2.6 ttpt -120.58 148.13 44.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.527 ' CG2' ' CD2' ' A' ' 77' ' ' TYR . 16.6 m -125.8 67.36 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.267 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.846 HD22 ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -84.19 -22.41 30.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.813 ' N ' HD13 ' A' ' 65' ' ' LEU . 0.7 OUTLIER -99.96 65.22 1.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 110.31 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.3 t70 178.87 80.3 0.16 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.255 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 60.29 5.4 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.545 1.813 . . . . 0.0 111.022 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 33.7 m -71.83 -49.76 35.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.557 1.161 . . . . 0.0 110.026 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.421 ' N ' ' HD3' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -157.85 63.37 2.74 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.31 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.421 ' HD3' ' N ' ' A' ' 70' ' ' ARG . 18.4 Cg_endo -74.94 -169.08 0.58 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.556 1.819 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.433 ' NE1' ' OE2' ' A' ' 28' ' ' GLU . 3.7 m95 -93.96 28.93 2.25 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 100.48 -40.48 2.41 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.528 1.142 . . . . 0.0 111.032 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -159.75 46.41 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 0.784 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.492 ' HB3' ' HB2' ' A' ' 27' ' ' ALA . 0.3 OUTLIER -138.2 -165.77 1.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 109.236 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -149.18 166.84 27.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.621 ' CD1' ' N ' ' A' ' 77' ' ' TYR . 0.4 OUTLIER -129.31 153.26 48.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 1.008 ' CZ3' HD13 ' A' ' 55' ' ' LEU . 13.8 m0 -113.02 153.7 27.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 107.999 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.2 ptm -119.4 108.16 14.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.985 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.586 ' HB3' ' CD2' ' A' ' 61' ' ' PHE . 0.4 OUTLIER -119.5 136.04 54.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.112 . . . . 0.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -145.63 98.5 4.53 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.173 0 O-C-N 124.478 1.778 . . . . 0.0 110.965 179.983 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.68 ' HA ' HD23 ' A' ' 11' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.499 0.19 . . . . 0.0 110.977 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -48.64 -31.7 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.47 -52.23 19.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 109.35 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.75 ' HG ' HD12 ' A' ' 12' ' ' ILE . 0.4 OUTLIER -55.92 -35.83 67.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.9 HD11 ' CG2' ' A' ' 51' ' ' VAL . 1.1 mp -74.26 -36.88 44.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.5 m -61.47 -46.2 91.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.41 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.444 ' CG ' ' OH ' ' A' ' 32' ' ' TYR . 13.2 ptt? -75.61 -29.66 59.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.127 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.7 ' HB1' HG23 ' A' ' 29' ' ' ILE . . . -69.51 -58.48 3.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.895 HD11 HD21 ' A' ' 55' ' ' LEU . 22.1 mm -63.85 -32.69 58.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.46 -22.13 1.11 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.749 ' HB2' HD11 ' A' ' 29' ' ' ILE . 34.5 t0 -48.58 -30.99 5.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.117 . . . . 0.0 109.26 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 59.5 p -91.77 -144.73 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.968 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -173.05 34.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 80' ' ' LEU . . . 85.7 43.09 6.58 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.506 1.129 . . . . 0.0 110.966 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 80' ' ' LEU . . . -142.72 -69.52 0.03 OUTLIER Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.36 158.7 27.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 0.765 . . . . 0.0 110.297 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.863 HD13 ' HA ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -156.17 164.1 38.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.415 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 6.1 p -114.22 111.68 21.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.393 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.761 HD11 HD22 ' A' ' 55' ' ' LEU . 2.2 mm? -63.36 -26.38 68.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.785 ' HB2' ' HB2' ' A' ' 75' ' ' ASP . . . -63.24 -53.32 54.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.412 ' O ' ' HB3' ' A' ' 32' ' ' TYR . 3.7 tm-20 -66.61 -42.37 86.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.749 HD11 ' HB2' ' A' ' 18' ' ' ASP . 1.1 mp -62.68 -30.94 50.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -67.95 -51.73 44.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 0.0 109.298 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -68.15 -23.58 64.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 110.321 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.504 ' CE2' ' HA ' ' A' ' 15' ' ' ALA . 0.2 OUTLIER -80.8 -39.26 27.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.986 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 1.022 HD13 ' N ' ' A' ' 34' ' ' MET . 0.0 OUTLIER -69.24 -46.63 66.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' MET . . . . . 1.022 ' N ' HD13 ' A' ' 33' ' ' LEU . 5.7 ttp -74.39 -31.04 62.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.943 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -79.24 3.96 64.62 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.5 mmtp -115.65 -36.87 4.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 0.771 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.406 ' CB ' ' HB2' ' A' ' 40' ' ' PHE . 10.5 m-30 -98.28 110.52 56.66 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.426 ' HA ' ' HG2' ' A' ' 41' ' ' ARG . 18.2 Cg_endo -74.95 -27.27 10.26 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.501 1.79 . . . . 0.0 110.976 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -74.57 -22.29 59.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 111.022 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.406 ' HB2' ' CB ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -80.32 -38.51 30.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 111.032 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.426 ' HG2' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -79.32 3.27 18.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -123.31 19.2 7.69 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.2 m -126.95 -85.87 0.6 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 0.805 . . . . 0.0 110.038 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.567 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 2.0 p90 -159.35 122.38 3.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.585 HG22 ' O ' ' A' ' 45' ' ' THR . 16.2 m -91.13 53.27 2.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 110.447 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -123.04 41.26 1.82 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.504 1.128 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -118.4 7.24 11.89 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.19 -43.32 67.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -79.36 -51.85 8.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.355 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.52 -46.71 66.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.994 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.9 ' CG2' HD11 ' A' ' 12' ' ' ILE . 1.9 p -66.19 -48.79 80.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.474 ' N ' ' CG1' ' A' ' 51' ' ' VAL . 0.2 OUTLIER -49.18 -39.53 29.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.259 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -67.97 -57.07 6.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.628 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.466 ' O ' ' ND2' ' A' ' 58' ' ' ASN . 3.9 m120 -63.3 -14.66 52.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.895 HD21 HD11 ' A' ' 16' ' ' ILE . 0.6 OUTLIER -81.24 -43.28 19.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.579 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 6.7 p -77.72 -29.36 51.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 0.0 109.965 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.0 mt -81.69 -30.28 32.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.466 ' ND2' ' O ' ' A' ' 54' ' ' ASN . 0.5 OUTLIER -60.1 -86.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.604 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 0.2 OUTLIER -56.24 -54.66 42.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.604 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 4.8 t 98.49 56.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 108.306 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.597 ' CD2' ' HB3' ' A' ' 80' ' ' LEU . 0.2 OUTLIER -119.11 -166.45 1.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 79' ' ' MET . 4.0 m -117.03 169.85 7.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.495 ' HA ' ' HA ' ' A' ' 78' ' ' TRP . 17.1 mttt -118.59 163.22 17.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.494 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 60.4 t -119.87 83.75 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.1 tp -82.64 125.33 31.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.8 ttt-85 48.83 94.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.333 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -143.88 121.53 6.79 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.335 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 76.52 3.38 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.499 1.789 . . . . 0.0 111.001 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.1 m -136.62 -51.0 0.68 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.041 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.433 ' N ' ' HD3' ' A' ' 71' ' ' PRO . 7.9 ptp180 -135.99 62.68 47.56 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.433 ' HD3' ' N ' ' A' ' 70' ' ' ARG . 18.3 Cg_endo -74.99 54.54 3.67 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.519 1.799 . . . . 0.0 110.981 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 7.1 t90 -176.14 38.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 108.016 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -95.59 -57.81 1.16 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.497 1.123 . . . . 0.0 110.96 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.3 mttt 179.71 -53.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 0.748 . . . . 0.0 109.334 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.785 ' HB2' ' HB2' ' A' ' 27' ' ' ALA . 81.1 m-20 -153.95 -64.29 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 64' ' ' VAL . 14.1 t-20 -165.04 168.03 17.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.347 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.545 ' CD1' ' N ' ' A' ' 77' ' ' TYR . 1.7 p90 -140.82 157.74 44.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.97 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.814 ' CZ3' HD23 ' A' ' 55' ' ' LEU . 18.6 m0 -114.46 162.83 16.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 108.037 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.469 ' O ' HG22 ' A' ' 62' ' ' VAL . 12.2 ttm -119.63 114.39 22.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 111.03 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.597 ' HB3' ' CD2' ' A' ' 61' ' ' PHE . 1.2 pt? -119.96 157.33 29.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.245 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 11.1 p-10 -168.56 160.46 8.66 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.177 0 O-C-N 124.532 1.806 . . . . 0.0 110.982 -179.984 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.49 0.186 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.428 HD13 ' N ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -68.82 -15.42 19.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.85 -51.93 9.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.753 ' CD1' HD21 ' A' ' 33' ' ' LEU . 1.1 pp -61.95 -37.99 86.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 1.001 ' O ' HG22 ' A' ' 16' ' ' ILE . 0.7 OUTLIER -68.87 -41.38 82.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.725 HG22 ' HD2' ' A' ' 17' ' ' ARG . 9.3 m -62.53 -50.57 70.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.385 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.523 ' CE ' ' OH ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -74.78 -15.17 60.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.65 ' HB2' ' O ' ' A' ' 11' ' ' LEU . . . -80.24 -55.4 4.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 1.001 HG22 ' O ' ' A' ' 12' ' ' ILE . 0.4 OUTLIER -72.29 -23.17 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.725 ' HD2' HG22 ' A' ' 13' ' ' THR . 12.2 mtt-85 -61.05 -10.19 5.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.577 1.173 . . . . 0.0 110.352 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -80.84 6.43 13.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.685 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 3.9 p -83.46 -39.03 21.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.007 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.685 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 82.99 41.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 48.85 45.98 31.79 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.507 1.129 . . . . 0.0 111.022 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 80' ' ' LEU . . . -149.83 -72.11 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.1 ptt180 -161.05 158.88 28.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 0.779 . . . . 0.0 110.314 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.743 HD21 HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -160.18 160.24 32.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.476 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -102.34 101.73 12.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 110.402 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.861 HD21 ' CD2' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -51.64 -35.22 41.23 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.481 ' CB ' ' HB2' ' A' ' 75' ' ' ASP . . . -52.73 -49.18 65.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.431 ' HB2' HG23 ' A' ' 25' ' ' THR . 0.4 OUTLIER -65.67 -30.97 71.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.344 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.733 ' CD1' HD11 ' A' ' 24' ' ' LEU . 1.3 mp -68.28 -39.24 80.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -63.97 -52.68 58.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -29.83 70.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 110.234 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.523 ' OH ' ' CE ' ' A' ' 14' ' ' MET . 1.3 t80 -77.38 -30.61 53.77 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.487 1.117 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.753 HD21 ' CD1' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -73.54 -52.67 12.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.1 ptm -71.51 -21.62 61.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -79.88 -22.06 64.59 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.525 1.14 . . . . 0.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.99 -59.77 1.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.423 0.72 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -70.02 113.11 15.23 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 111.021 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.407 ' HA ' ' HG2' ' A' ' 41' ' ' ARG . 18.4 Cg_endo -75.01 -32.94 4.95 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.454 1.765 . . . . 0.0 111.006 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -65.47 -31.82 73.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 110.971 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.806 ' CD2' ' CZ2' ' A' ' 47' ' ' TRP . 1.5 m-30 -73.8 -38.17 64.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.407 ' HG2' ' HA ' ' A' ' 38' ' ' PRO . 0.3 OUTLIER -89.94 24.79 2.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.329 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -143.34 -45.42 0.05 OUTLIER Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.522 1.139 . . . . 0.0 111.02 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 26.8 m -69.71 -76.63 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 0.798 . . . . 0.0 109.984 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.548 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 2.6 p90 -168.49 125.74 1.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.962 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.447 HG23 ' CZ2' ' A' ' 47' ' ' TRP . 36.0 m -94.83 39.82 1.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 110.403 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -102.74 46.8 1.18 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.475 1.109 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.806 ' CZ2' ' CD2' ' A' ' 40' ' ' PHE . 0.8 OUTLIER -128.91 17.78 6.18 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.0 -47.34 74.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 110.316 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -79.1 -40.75 30.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.18 -50.76 72.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.04 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.768 HG13 HD11 ' A' ' 12' ' ' ILE . 13.0 t -65.98 -47.68 84.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.402 ' HG2' ' CH2' ' A' ' 78' ' ' TRP . 61.0 mtt180 -53.96 -40.4 66.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.324 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -67.63 -58.35 4.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.606 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.533 ' O ' ' ND2' ' A' ' 58' ' ' ASN . 81.0 m-20 -58.14 -20.99 44.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.96 HD12 HG23 ' A' ' 12' ' ' ILE . 0.8 OUTLIER -78.85 -40.01 33.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 109.328 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.576 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -72.19 -45.08 61.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.003 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.7 pp -79.4 0.82 27.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.533 ' ND2' ' O ' ' A' ' 54' ' ' ASN . 0.6 OUTLIER -77.02 -76.0 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.261 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.54 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 0.2 OUTLIER -82.23 -32.56 29.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.461 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.1 OUTLIER 84.65 61.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 108.289 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.787 ' CZ ' HD13 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -119.32 -165.5 1.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.973 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.454 HG12 ' O ' ' A' ' 79' ' ' MET . 3.5 p -117.52 154.48 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.553 ' HB2' ' CD1' ' A' ' 78' ' ' TRP . 0.5 OUTLIER -119.07 157.32 28.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.261 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 58.3 t -132.71 107.15 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.563 ' O ' HD12 ' A' ' 65' ' ' LEU . 1.3 pp -156.96 62.24 0.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 176.84 99.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.322 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 172.84 155.01 0.25 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 55.02 3.81 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.531 1.806 . . . . 0.0 110.997 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.1 75.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.986 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.506 ' CD ' ' OH ' ' A' ' 77' ' ' TYR . 0.2 OUTLIER 168.73 -53.9 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 0.0 110.307 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.481 ' HD3' ' CB ' ' A' ' 70' ' ' ARG . 18.2 Cg_endo -74.98 55.53 3.96 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.471 1.774 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -93.67 -31.8 14.31 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -104.72 -85.73 1.87 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 175.3 41.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 0.757 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.481 ' HB2' ' CB ' ' A' ' 27' ' ' ALA . 3.8 p-10 -158.3 164.05 36.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -150.23 -174.05 4.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.526 ' C ' ' HD1' ' A' ' 78' ' ' TRP . 1.9 p90 -141.79 163.25 33.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.902 ' CZ3' HD23 ' A' ' 55' ' ' LEU . 13.4 m0 -114.59 167.8 10.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 0.0 108.0 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.454 ' O ' HG12 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -126.33 109.53 12.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.087 . . . . 0.0 110.996 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.796 HD22 HD11 ' A' ' 16' ' ' ILE . 0.7 OUTLIER -119.26 148.28 43.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.735 ' C ' HD21 ' A' ' 81' ' ' ASN . 0.3 OUTLIER -153.68 154.35 30.17 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.19 0 O-C-N 124.452 1.764 . . . . 0.0 111.024 -179.996 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 120.474 0.178 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.414 HG23 ' N ' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -56.42 -50.4 72.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.414 ' N ' HG23 ' A' ' 9' ' ' ILE . . . -64.88 -31.47 72.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.587 1.179 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.88 HD11 ' HG ' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -62.75 -42.67 99.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.818 HD13 HD23 ' A' ' 11' ' ' LEU . 4.4 mm -68.29 -64.42 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -42.16 -36.62 1.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.384 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 40.7 ttp -74.91 -36.83 62.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 111.04 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' A' ' 12' ' ' ILE . . . -69.13 -37.63 78.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.108 . . . . 0.0 109.277 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.677 HD11 ' CG ' ' A' ' 55' ' ' LEU . 10.3 mm -78.16 -28.26 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.49 -16.34 3.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 110.286 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -72.76 -26.55 61.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.252 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.928 ' CB ' HD21 ' A' ' 80' ' ' LEU . 0.7 OUTLIER -69.28 -58.37 4.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.016 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.768 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 91.87 45.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 50.6 57.23 10.94 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.553 1.158 . . . . 0.0 110.985 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 80' ' ' LEU . . . -158.02 -74.07 0.02 OUTLIER Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.1 ppt_? -161.21 156.25 23.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 0.754 . . . . 0.0 110.278 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.588 HD21 HG23 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -160.92 170.52 20.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.45 ' HA ' ' HA ' ' A' ' 77' ' ' TYR . 7.5 p -113.59 114.1 26.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.511 1.132 . . . . 0.0 110.373 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.888 HD11 HD22 ' A' ' 55' ' ' LEU . 3.3 mm? -62.65 -28.15 69.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.24 -51.32 68.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -74.2 -36.61 64.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.247 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.582 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 0.6 OUTLIER -56.41 -52.85 47.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.469 ' N ' HG22 ' A' ' 29' ' ' ILE . 62.0 t-20 -70.52 -31.4 68.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -54.69 -45.55 73.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.289 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.734 ' CE1' HD12 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -80.08 -34.1 38.31 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 111.024 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.88 ' HG ' HD11 ' A' ' 11' ' ' LEU . 1.9 tp -52.51 -48.36 66.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -80.59 -33.35 36.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -76.61 -0.99 69.68 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.512 1.132 . . . . 0.0 110.977 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.5 tttt -113.66 -51.1 2.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 0.75 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.801 ' CE1' HD12 ' A' ' 11' ' ' LEU . 38.5 m-85 -83.64 115.76 61.16 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 110.991 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -36.8 2.33 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.476 1.777 . . . . 0.0 110.98 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -62.16 -32.2 72.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 110.997 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 1.8 m-30 -70.91 -45.42 64.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.1 ptt85 -83.35 7.8 15.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.319 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -113.21 -48.97 0.58 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.5 1.125 . . . . 0.0 110.968 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.2 m -70.04 -76.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 0.738 . . . . 0.0 110.002 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.542 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 2.0 p90 -156.88 122.96 4.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.978 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.0 t -89.39 37.95 0.88 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.388 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -114.54 57.7 0.46 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.474 1.109 . . . . 0.0 111.044 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.413 ' O ' HG12 ' A' ' 51' ' ' VAL . 1.2 p-90 -131.25 21.63 4.82 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.8 ttp180 -63.55 -47.28 82.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 56.2 m-20 -74.95 -34.72 62.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.1 t -69.02 -53.63 19.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.163 . . . . 0.0 109.996 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.64 HG23 HD11 ' A' ' 12' ' ' ILE . 4.6 p -57.08 -51.0 74.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.484 ' N ' HG13 ' A' ' 51' ' ' VAL . 0.7 OUTLIER -56.88 -39.62 74.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.27 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.476 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 37.2 t60 -56.54 -57.36 12.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.557 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.5 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 2.5 m-20 -65.19 -28.42 69.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.261 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.888 HD22 HD11 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -55.34 -54.13 47.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.544 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.3 OUTLIER -81.22 -29.05 34.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.992 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.476 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 1.4 tp -80.12 0.73 30.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 9.5 t30 -103.44 -81.44 0.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.609 ' HB3' ' CD2' ' A' ' 61' ' ' PHE . 1.1 t70 -62.83 -53.6 51.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.562 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 4.0 t 92.98 66.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 108.278 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.609 ' CD2' ' HB3' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -119.5 -164.58 1.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.987 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 70.0 t -115.52 153.68 17.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.171 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.608 ' HB3' ' CD1' ' A' ' 78' ' ' TRP . 0.0 OUTLIER -119.22 154.27 33.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.78 HG13 ' HB2' ' A' ' 67' ' ' ASP . 13.1 t -118.48 82.89 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 66' ' ' ARG . 0.2 OUTLIER -62.7 83.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.454 ' CG ' ' HA ' ' A' ' 69' ' ' SER . 0.1 OUTLIER 34.85 69.85 0.15 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.246 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.78 ' HB2' HG13 ' A' ' 64' ' ' VAL . 0.2 OUTLIER -80.86 -52.0 0.91 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 67' ' ' ASP . 18.2 Cg_endo -75.07 0.03 9.43 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.474 1.776 . . . . 0.0 111.031 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.454 ' HA ' ' CG ' ' A' ' 66' ' ' ARG . 0.1 OUTLIER 64.65 54.73 1.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.019 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.59 ' HD2' ' CE2' ' A' ' 77' ' ' TYR . 15.9 mtp85 -47.96 105.1 0.46 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 110.283 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -2.49 12.62 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.477 1.778 . . . . 0.0 110.996 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 38.7 m95 -45.26 -55.75 5.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 107.973 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -173.45 -83.24 0.05 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.513 1.133 . . . . 0.0 110.954 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.7 tttm -163.62 57.32 0.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 0.75 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -128.73 -176.1 3.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.152 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -170.44 162.57 8.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.59 ' CE2' ' HD2' ' A' ' 70' ' ' ARG . 1.3 p90 -126.42 160.39 30.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 111.026 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.645 ' CG ' HD23 ' A' ' 26' ' ' LEU . 28.0 m0 -115.18 158.58 22.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 107.991 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -119.91 113.78 21.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 111.027 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.928 HD21 ' CB ' ' A' ' 19' ' ' SER . 1.1 pt? -118.31 159.17 23.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -175.38 133.12 0.46 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.135 0 O-C-N 124.551 1.816 . . . . 0.0 110.983 -179.978 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.464 ' HA ' ' CD2' ' A' ' 11' ' ' LEU . 20.9 m-30 . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.461 0.172 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.1 tt -68.73 -37.14 77.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.341 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.54 -56.93 4.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.325 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 1.02 HD13 HD21 ' A' ' 33' ' ' LEU . 0.7 OUTLIER -50.11 -38.49 38.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.865 HD12 HD12 ' A' ' 55' ' ' LEU . 4.0 mm -65.58 -49.93 74.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.1 m -47.29 -46.75 25.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.391 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.445 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 3.3 ptt? -77.41 -22.94 50.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.993 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.98 -46.56 77.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.719 HD11 ' CD1' ' A' ' 55' ' ' LEU . 2.7 mm -80.38 -32.13 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.63 -23.28 0.64 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.333 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.4 ' N ' ' C ' ' A' ' 16' ' ' ILE . 63.4 t0 -49.68 -38.05 31.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.34 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.2 -145.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.045 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -166.53 30.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 84.43 40.51 8.37 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 80' ' ' LEU . . . -136.11 -71.08 0.06 OUTLIER Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.044 -0.823 . . . . 0.0 111.044 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.02 160.98 31.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 0.76 . . . . 0.0 110.335 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.81 HD12 ' CD1' ' A' ' 29' ' ' ILE . 0.1 OUTLIER -150.11 160.72 43.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.529 HG22 ' HB3' ' A' ' 77' ' ' TYR . 60.3 p -113.34 111.48 22.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.396 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.819 HD11 HD22 ' A' ' 55' ' ' LEU . 4.6 mm? -60.91 -28.48 68.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.72 -53.41 51.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -71.69 -35.39 70.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.282 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.81 ' CD1' HD12 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -59.7 -50.54 79.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.528 ' OD1' ' CZ3' ' A' ' 47' ' ' TRP . 1.3 t30 -68.53 -32.0 71.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -56.14 -49.57 73.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.594 ' CD1' ' C ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -72.93 -34.75 66.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 0.0 110.996 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 1.02 HD21 HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -55.08 -52.06 64.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.1 ttp -73.1 -38.09 66.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.42 -14.81 69.71 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.527 1.142 . . . . 0.0 110.961 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 44.8 tttp -96.83 -56.52 2.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 0.753 . . . . 0.0 109.339 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -71.32 114.36 27.09 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -16.79 19.97 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.558 1.82 . . . . 0.0 111.03 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -89.66 -23.13 21.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.983 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 4.6 m-30 -84.54 -18.63 35.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -88.82 20.75 3.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 110.297 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -115.46 -66.89 0.42 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 45' ' ' THR . 5.4 m -125.99 -56.52 1.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 0.739 . . . . 0.0 109.977 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.51 ' O ' ' NE1' ' A' ' 47' ' ' TRP . 0.3 OUTLIER -59.88 81.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.449 ' N ' ' O ' ' A' ' 43' ' ' SER . 21.2 m -131.15 4.11 4.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.415 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -118.08 42.54 1.8 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.448 1.093 . . . . 0.0 110.987 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.846 ' CE3' HG21 ' A' ' 51' ' ' VAL . 1.7 p-90 -103.72 7.57 37.28 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -55.8 -22.22 23.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.263 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -77.12 -50.75 12.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 68.4 m -73.06 -34.01 66.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.99 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.846 HG21 ' CE3' ' A' ' 47' ' ' TRP . 2.0 t -65.89 -54.82 23.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 55.2 mtm180 -59.13 -42.93 91.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.332 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.49 ' O ' ' CB ' ' A' ' 57' ' ' LEU . 0.2 OUTLIER -55.34 -51.14 67.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.585 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.573 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 2.2 t30 -70.25 -29.36 66.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.865 HD12 HD12 ' A' ' 12' ' ' ILE . 0.3 OUTLIER -54.37 -55.99 23.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.571 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 1.5 t -82.1 -28.32 32.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.965 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.49 ' CB ' ' O ' ' A' ' 53' ' ' HIS . 1.9 tp -80.21 1.7 27.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.573 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 6.4 t-20 -108.6 -79.31 0.58 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.125 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.66 ' HB3' ' CD2' ' A' ' 61' ' ' PHE . 4.0 t70 -61.22 -51.54 68.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.522 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 7.0 m 89.12 66.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 108.28 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.66 ' CD2' ' HB3' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -122.59 -164.56 1.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.96 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.431 ' O ' ' HB3' ' A' ' 78' ' ' TRP . 11.7 t -115.24 149.91 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.614 ' HB2' ' CD1' ' A' ' 78' ' ' TRP . 0.0 OUTLIER -116.59 150.38 38.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.313 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.472 ' CG1' ' HB2' ' A' ' 67' ' ' ASP . 3.9 t -119.59 133.32 66.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.261 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.1 tt -91.55 -75.05 0.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.0 mtm180 -139.81 83.16 1.91 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.088 . . . . 0.0 110.29 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.472 ' HB2' ' CG1' ' A' ' 64' ' ' VAL . 0.6 OUTLIER -113.06 162.59 21.13 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 71.53 4.98 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.51 1.795 . . . . 0.0 111.018 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.71 -62.04 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.998 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.425 ' N ' ' HD3' ' A' ' 71' ' ' PRO . 2.7 mpt_? -136.48 63.16 46.76 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.425 ' HD3' ' N ' ' A' ' 70' ' ' ARG . 18.3 Cg_endo -75.0 55.06 3.83 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.481 1.779 . . . . 0.0 110.962 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.548 ' O ' ' CG ' ' A' ' 72' ' ' TRP . 43.0 t-105 179.66 40.85 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 107.997 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -100.95 -179.08 29.13 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.506 1.128 . . . . 0.0 111.012 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.05 -40.06 57.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 0.744 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -168.85 -66.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -158.48 159.99 36.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.544 ' CD1' ' N ' ' A' ' 77' ' ' TYR . 2.0 p90 -137.81 157.31 46.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.683 ' CZ3' HD22 ' A' ' 55' ' ' LEU . 27.2 m0 -114.73 163.55 15.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 108.005 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.22 111.94 18.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 111.022 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.712 ' CD2' HD22 ' A' ' 24' ' ' LEU . 0.6 OUTLIER -119.43 145.12 46.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 -155.1 157.96 31.95 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.461 1.769 . . . . 0.0 111.029 179.99 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.435 ' OH ' HG23 ' A' ' 51' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.526 0.203 . . . . 0.0 110.994 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.561 ' H ' HD13 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -64.9 -36.35 77.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.79 -43.75 35.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 1.021 HD21 HD21 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -58.11 -39.25 78.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.916 ' O ' HG22 ' A' ' 16' ' ' ILE . 0.4 OUTLIER -69.32 -60.21 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.339 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.611 ' N ' HG22 ' A' ' 12' ' ' ILE . 3.6 m -48.2 -33.47 8.57 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.462 1.101 . . . . 0.0 110.409 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.475 ' CE ' ' OH ' ' A' ' 32' ' ' TYR . 34.4 ttp -74.35 -42.49 59.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 111.017 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.757 ' HB1' HG23 ' A' ' 29' ' ' ILE . . . -65.56 -51.55 58.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.916 HG22 ' O ' ' A' ' 12' ' ' ILE . 0.4 OUTLIER -66.46 -31.36 53.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.457 ' CG ' ' O ' ' A' ' 13' ' ' THR . 0.0 OUTLIER -53.23 -17.7 1.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.25 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -45.76 -25.81 0.56 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.484 ' HB3' ' CB ' ' A' ' 24' ' ' LEU . 5.1 p -86.52 -145.77 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.024 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.454 ' N ' ' OG ' ' A' ' 19' ' ' SER . . . -171.61 33.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 86.15 44.51 5.93 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.468 1.105 . . . . 0.0 111.023 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 80' ' ' LEU . . . -148.41 -66.98 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.2 ptt85 -161.28 141.08 10.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.608 0.828 . . . . 0.0 110.314 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.954 ' O ' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -135.75 142.55 45.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.811 ' N ' HD22 ' A' ' 24' ' ' LEU . 76.0 p -92.24 114.95 27.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.392 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.789 HD23 ' CD2' ' A' ' 78' ' ' TRP . 0.2 OUTLIER -74.61 -25.92 59.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.509 ' HB1' ' CG ' ' A' ' 75' ' ' ASP . . . -63.94 -48.24 77.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.67 -35.17 72.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.328 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.757 HG23 ' HB1' ' A' ' 15' ' ' ALA . 1.3 mp -61.32 -60.97 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.548 ' N ' HG22 ' A' ' 29' ' ' ILE . 8.9 m120 -61.9 -30.05 70.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -56.96 -51.6 68.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.59 ' CD1' ' C ' ' A' ' 32' ' ' TYR . 0.2 OUTLIER -80.84 -17.32 51.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 111.044 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 1.021 HD21 HD21 ' A' ' 11' ' ' LEU . 2.6 tp -71.37 -49.48 41.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 5.6 ptt? -71.08 -22.75 62.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 110.967 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.59 -43.94 42.17 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.52 1.137 . . . . 0.0 110.993 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.9 mtmt -74.43 -40.25 62.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 0.749 . . . . 0.0 109.238 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.546 ' CE2' ' CD1' ' A' ' 11' ' ' LEU . 4.9 m-85 -121.33 75.85 32.74 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 111.012 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -19.16 18.17 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.48 1.779 . . . . 0.0 110.993 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -90.91 -20.71 21.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 111.021 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.579 ' CE1' ' OH ' ' A' ' 44' ' ' TYR . 4.6 t80 -86.01 -15.29 41.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.515 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 0.0 OUTLIER -98.21 26.8 5.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.315 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -150.79 58.0 0.44 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.469 1.106 . . . . 0.0 110.996 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.66 -71.02 0.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 109.982 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.579 ' OH ' ' CE1' ' A' ' 40' ' ' PHE . 7.5 p90 -110.13 143.08 40.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.158 . . . . 0.0 111.025 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.493 HG22 ' O ' ' A' ' 45' ' ' THR . 30.5 m -77.61 53.87 1.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.45 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -156.55 72.53 0.24 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.515 ' CE2' ' HA ' ' A' ' 41' ' ' ARG . 0.2 OUTLIER -106.65 -75.11 0.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.421 ' O ' ' CB ' ' A' ' 52' ' ' ARG . 11.7 mtm180 -58.48 -29.39 66.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.12 . . . . 0.0 110.289 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -71.27 -54.46 10.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 73.2 m -67.3 -45.36 76.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.988 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.862 HG22 HD11 ' A' ' 12' ' ' ILE . 15.8 t -58.18 -52.21 61.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.421 ' CB ' ' O ' ' A' ' 48' ' ' ARG . 2.3 tmt_? -61.05 -32.2 71.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.304 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.409 ' O ' ' HB3' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -62.82 -56.2 19.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.545 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.569 ' HA ' HD23 ' A' ' 57' ' ' LEU . 1.5 m-80 -67.03 -33.54 75.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.687 ' O ' ' CZ ' ' A' ' 61' ' ' PHE . 3.6 mt -59.42 -46.4 88.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.555 1.159 . . . . 0.0 109.316 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.409 ' O ' ' HA ' ' A' ' 60' ' ' CYS . 10.5 p -76.3 -36.42 58.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.021 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.909 ' O ' HD12 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -81.3 1.98 30.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.444 ' HB3' ' O ' ' A' ' 55' ' ' LEU . 12.2 t-20 -85.34 -94.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.439 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 1.2 m-20 -81.92 -31.74 31.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 0.0 109.342 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.439 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 10.0 m 82.97 86.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 108.303 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.687 ' CZ ' ' O ' ' A' ' 55' ' ' LEU . 0.5 OUTLIER -128.91 -165.52 1.52 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 60.1 t -116.94 155.25 18.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.576 ' HG3' ' CD1' ' A' ' 78' ' ' TRP . 8.7 ttmt -119.64 142.91 48.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.706 HG12 ' O ' ' A' ' 77' ' ' TYR . 9.8 p -125.07 137.98 55.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.2 tp -127.22 -51.28 1.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.78 108.08 15.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.13 . . . . 0.0 110.274 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.486 ' CB ' ' OH ' ' A' ' 77' ' ' TYR . 0.1 OUTLIER -159.3 159.99 28.54 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 0.0 109.271 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 60.53 5.47 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.464 1.771 . . . . 0.0 110.971 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.426 ' CB ' ' HD2' ' A' ' 70' ' ' ARG . 3.4 m -142.51 -54.74 0.42 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.004 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.426 ' HD2' ' CB ' ' A' ' 69' ' ' SER . 0.0 OUTLIER -143.01 68.82 18.16 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.324 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -37.01 2.2 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.469 1.773 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -115.32 44.93 1.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 107.964 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -111.92 -137.25 7.1 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.533 1.146 . . . . 0.0 111.029 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -160.98 30.28 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 0.775 . . . . 0.0 109.255 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.509 ' CG ' ' HB1' ' A' ' 27' ' ' ALA . 78.0 m-20 -148.52 175.08 11.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.357 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.446 ' N ' ' OD1' ' A' ' 76' ' ' ASN . 5.3 p-10 -170.76 176.14 4.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.706 ' O ' HG12 ' A' ' 64' ' ' VAL . 0.6 OUTLIER -134.7 160.04 39.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.958 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.789 ' CD2' HD23 ' A' ' 26' ' ' LEU . 8.8 m0 -113.8 160.17 19.0 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.0 ttm -118.92 109.42 15.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 111.017 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.629 ' CD2' HD12 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -119.3 137.86 53.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -148.17 157.09 43.19 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.173 0 O-C-N 124.462 1.769 . . . . 0.0 110.993 -179.983 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.458 ' HA ' HD23 ' A' ' 11' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.458 0.17 . . . . 0.0 111.006 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.7 tp -53.49 -34.1 22.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.43 -46.15 56.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.792 HD13 HD11 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -54.83 -37.36 66.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.997 HD11 HG22 ' A' ' 51' ' ' VAL . 45.3 mm -68.42 -57.74 8.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 50.9 m -42.87 -42.63 3.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.404 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.522 ' CE ' ' OH ' ' A' ' 32' ' ' TYR . 9.5 ptt? -80.5 -24.1 39.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 12' ' ' ILE . . . -73.29 -51.29 18.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.873 HG23 ' HG ' ' A' ' 24' ' ' LEU . 1.6 mm -72.92 -34.11 45.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.417 ' HB2' ' HA ' ' A' ' 14' ' ' MET . 0.0 OUTLIER -46.17 -23.39 0.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 110.277 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.422 ' N ' ' C ' ' A' ' 16' ' ' ILE . 5.4 t70 -60.23 -31.04 69.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.726 ' CB ' HD21 ' A' ' 80' ' ' LEU . 1.4 p -68.79 -68.09 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.997 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.723 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 86.35 49.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 61.96 59.78 9.08 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.514 1.134 . . . . 0.0 111.042 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -155.64 -73.99 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.43 ' O ' ' HB2' ' A' ' 19' ' ' SER . 3.1 ptt180 -159.61 132.8 6.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 0.763 . . . . 0.0 110.283 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.873 ' HG ' HG23 ' A' ' 16' ' ' ILE . 2.0 tm? -118.37 130.04 55.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.573 ' O ' HD13 ' A' ' 29' ' ' ILE . 23.0 p -102.97 121.73 43.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.1 . . . . 0.0 110.378 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.897 HD11 HD22 ' A' ' 55' ' ' LEU . 4.1 mm? -75.59 -21.76 57.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.34 -57.23 7.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.89 -34.45 77.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 110.27 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.573 HD13 ' O ' ' A' ' 25' ' ' THR . 1.3 mp -65.37 -40.56 88.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -61.69 -49.92 74.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.82 -27.36 68.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.356 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.522 ' OH ' ' CE ' ' A' ' 14' ' ' MET . 0.8 OUTLIER -80.23 -26.13 39.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.792 HD11 HD13 ' A' ' 11' ' ' LEU . 0.6 OUTLIER -75.47 -52.58 10.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 109.305 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 74.6 mtm -67.37 -26.03 66.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -79.8 -20.43 68.27 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.538 1.149 . . . . 0.0 110.981 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.504 ' HG3' ' CE1' ' A' ' 32' ' ' TYR . 3.1 mmtm -103.89 -58.85 1.81 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 0.768 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -78.13 113.92 37.71 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.966 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -39.5 1.18 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.492 1.786 . . . . 0.0 110.984 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -61.55 -30.66 70.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -76.45 -29.11 56.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 111.016 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.7 ttt180 -99.39 30.65 3.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.3 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -148.36 -45.96 0.03 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.489 1.118 . . . . 0.0 111.055 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 28.9 m -69.74 -77.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 0.756 . . . . 0.0 109.998 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.532 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 10.4 p90 -159.11 123.82 4.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 41.3 p -89.99 36.82 0.87 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.404 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -110.71 52.8 0.61 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.481 1.113 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.44 ' NE1' ' O ' ' A' ' 44' ' ' TYR . 0.1 OUTLIER -126.9 6.3 6.62 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -55.64 -38.57 69.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.305 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -72.43 -52.27 16.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 66.6 m -59.65 -55.23 36.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.004 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.997 HG22 HD11 ' A' ' 12' ' ' ILE . 0.5 OUTLIER -53.64 -44.46 57.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.421 ' N ' ' CG1' ' A' ' 51' ' ' VAL . 65.1 mtt180 -61.1 -43.82 98.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 0.0 110.338 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 61.1 m170 -55.57 -49.83 71.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.614 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.511 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 1.3 t-20 -69.31 -31.28 69.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.897 HD22 HD11 ' A' ' 26' ' ' LEU . 0.4 OUTLIER -55.58 -52.44 63.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.098 . . . . 0.0 109.266 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.569 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -79.33 -31.94 43.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.944 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 37.2 mt -80.22 1.17 29.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.511 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 7.2 t30 -101.11 -77.47 0.54 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.659 ' HB3' ' CD2' ' A' ' 61' ' ' PHE . 3.7 t70 -67.89 -54.51 18.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.585 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 2.3 t 94.76 71.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 108.343 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.841 ' HE2' HG21 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -125.76 -165.1 1.38 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 110.975 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.449 ' O ' ' HB3' ' A' ' 78' ' ' TRP . 72.2 t -115.48 153.84 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.597 ' HB2' ' CD1' ' A' ' 78' ' ' TRP . 0.2 OUTLIER -116.67 148.84 40.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.896 HG22 ' O ' ' A' ' 77' ' ' TYR . 5.5 m -120.72 41.53 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.164 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 66' ' ' ARG . 2.3 mt -41.97 149.81 0.13 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 65' ' ' LEU . 58.7 ttt180 38.51 64.96 0.68 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 110.267 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.448 ' CG ' ' CE1' ' A' ' 77' ' ' TYR . 8.3 p-10 -88.58 135.78 32.05 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 71.67 4.92 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.535 1.808 . . . . 0.0 111.021 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.5 m -153.73 -56.46 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 110.037 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -117.91 81.7 16.09 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -33.41 4.58 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.497 1.788 . . . . 0.0 110.961 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 13.0 m0 -114.66 45.3 1.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 107.976 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -106.04 -148.02 15.79 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.515 1.135 . . . . 0.0 111.021 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.3 tptt -62.72 -52.84 61.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 0.779 . . . . 0.0 109.326 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 171.23 -69.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -168.79 164.16 11.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.896 ' O ' HG22 ' A' ' 64' ' ' VAL . 27.5 p90 -143.14 160.83 39.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.973 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.677 ' CZ3' HD22 ' A' ' 55' ' ' LEU . 20.1 m0 -115.25 162.29 17.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 107.984 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.406 ' N ' ' O ' ' A' ' 62' ' ' VAL . 0.2 OUTLIER -117.89 122.0 42.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 111.013 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.803 HD23 ' H ' ' A' ' 80' ' ' LEU . 2.2 pt? -121.99 154.7 36.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -168.01 153.33 6.72 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.15 0 O-C-N 124.495 1.787 . . . . 0.0 110.943 -179.989 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.49 0.186 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 tt -54.98 -46.25 76.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.74 -42.54 97.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.091 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.934 HD11 HD21 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -55.32 -44.04 75.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.996 HD12 HD12 ' A' ' 55' ' ' LEU . 20.1 mm -60.38 -55.41 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.9 m -50.49 -38.34 43.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 110.411 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 56.9 ttp -77.34 -23.64 50.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 111.046 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.431 ' HB2' HD11 ' A' ' 33' ' ' LEU . . . -78.14 -52.26 8.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.249 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.721 ' HA ' HD13 ' A' ' 24' ' ' LEU . 8.3 mm -69.31 -31.34 49.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -46.47 -23.76 0.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.25 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.583 ' HB3' HD11 ' A' ' 29' ' ' ILE . 5.9 t70 -48.38 -30.92 5.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 60.3 p -91.23 -143.95 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.0 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -171.05 33.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.69 43.33 7.33 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.459 1.099 . . . . 0.0 111.035 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.46 ' CA ' ' O ' ' A' ' 80' ' ' LEU . . . -141.4 -68.65 0.03 OUTLIER Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.8 ptt180 -161.08 163.74 31.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 0.749 . . . . 0.0 110.295 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.721 HD13 ' HA ' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -160.45 171.82 18.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.443 ' HA ' ' O ' ' A' ' 76' ' ' ASN . 31.1 p -129.49 118.78 22.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.446 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.591 ' HG ' ' CZ2' ' A' ' 78' ' ' TRP . 4.2 mm? -66.53 -20.85 66.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.474 ' HB2' ' HB2' ' A' ' 75' ' ' ASP . . . -62.03 -51.33 68.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.63 -39.02 46.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.583 HD11 ' HB3' ' A' ' 18' ' ' ASP . 1.1 mp -55.1 -47.64 76.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -73.36 -36.72 66.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -49.84 -46.41 51.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.333 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.869 ' CZ ' HD12 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -80.39 -35.94 34.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 110.979 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.934 HD21 HD11 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -54.49 -44.67 72.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.419 ' HG3' ' N ' ' A' ' 35' ' ' GLY . 5.1 ptp -80.31 -26.23 38.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 111.019 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.419 ' N ' ' HG3' ' A' ' 34' ' ' MET . . . -78.66 -21.68 68.53 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.493 1.12 . . . . 0.0 110.999 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -95.04 -59.56 1.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 0.74 . . . . 0.0 109.258 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.688 ' CE1' HD12 ' A' ' 11' ' ' LEU . 65.0 m-85 -74.25 113.85 27.71 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -38.53 1.53 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.475 1.776 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -61.65 -32.49 72.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -71.81 -39.15 70.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 111.015 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.13 24.48 4.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.338 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -138.25 -48.18 0.07 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.551 1.157 . . . . 0.0 111.009 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.6 m -69.73 -68.48 0.41 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 0.777 . . . . 0.0 109.98 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.611 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 2.2 p90 -163.02 107.5 1.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.425 ' O ' HG23 ' A' ' 45' ' ' THR . 7.8 t -78.67 52.31 1.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.414 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -144.02 79.31 0.25 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.56 1.162 . . . . 0.0 111.043 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.643 ' CE3' HG21 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -139.56 17.74 2.54 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.419 ' O ' ' HG2' ' A' ' 52' ' ' ARG . 53.4 ttm-85 -58.75 -23.62 60.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.304 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -75.8 -51.75 11.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.5 p -71.56 -32.41 68.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 0.0 109.986 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.643 HG21 ' CE3' ' A' ' 47' ' ' TRP . 2.8 t -66.63 -62.22 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.419 ' HG2' ' O ' ' A' ' 48' ' ' ARG . 0.9 OUTLIER -53.27 -37.83 62.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 110.333 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.532 ' O ' ' CB ' ' A' ' 57' ' ' LEU . 0.1 OUTLIER -58.0 -53.37 59.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.6 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.519 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 1.9 t-20 -72.83 -23.43 60.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.996 HD12 HD12 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -61.88 -56.74 16.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.58 -36.44 38.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.97 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.532 ' CB ' ' O ' ' A' ' 53' ' ' HIS . 7.3 tt -66.45 -9.18 31.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.519 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 16.0 t30 -103.24 -78.27 0.55 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.649 ' HB3' ' CD2' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -62.08 -56.4 19.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.325 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.509 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 4.0 t 88.81 63.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 108.292 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.649 ' CD2' ' HB3' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -119.39 -167.0 1.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.97 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.443 HG12 ' N ' ' A' ' 63' ' ' LYS . 40.7 t -117.36 163.2 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.443 ' N ' HG12 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -118.66 155.32 31.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 10.1 t -121.42 -43.2 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.249 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 60.28 177.76 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -40.28 113.26 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.33 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -161.36 157.73 22.14 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 78.17 2.94 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.511 1.795 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.1 p -149.25 -46.4 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.005 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.549 ' HD3' ' CE1' ' A' ' 77' ' ' TYR . 0.1 OUTLIER -128.19 76.79 77.63 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.277 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 49.71 2.31 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.535 1.808 . . . . 0.0 111.013 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -105.09 -27.84 11.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 108.006 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -139.57 -60.49 0.04 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.119 . . . . 0.0 110.981 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 75.93 39.52 0.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 0.77 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.474 ' HB2' ' HB2' ' A' ' 27' ' ' ALA . 4.2 m-20 -110.06 -68.33 0.93 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.443 ' O ' ' HA ' ' A' ' 25' ' ' THR . 9.6 m120 -156.14 107.29 2.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.549 ' CE1' ' HD3' ' A' ' 70' ' ' ARG . 0.6 OUTLIER -118.31 123.45 45.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 111.028 179.92 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.648 ' CZ3' ' CD2' ' A' ' 55' ' ' LEU . 11.3 m0 -115.05 155.51 26.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 108.042 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -125.26 114.8 19.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.148 . . . . 0.0 110.973 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.637 HD22 ' CD2' ' A' ' 24' ' ' LEU . 1.1 pt? -120.34 153.57 36.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.265 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -166.53 154.85 9.53 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.176 0 O-C-N 124.468 1.773 . . . . 0.0 110.95 -179.983 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.51 0.195 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.551 HD12 ' N ' ' A' ' 10' ' ' ALA . 2.6 pp -61.85 -47.25 94.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.551 ' N ' HD12 ' A' ' 9' ' ' ILE . . . -61.93 -41.33 97.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.968 HD21 HD21 ' A' ' 33' ' ' LEU . 0.5 OUTLIER -58.55 -50.33 74.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.338 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.693 ' N ' HD23 ' A' ' 11' ' ' LEU . 0.5 OUTLIER -61.58 -40.8 87.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 35.1 m -52.45 -48.34 65.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.423 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.436 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 7.1 ptt? -77.43 -20.23 54.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.566 ' HB1' HG23 ' A' ' 29' ' ' ILE . . . -74.53 -52.73 11.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 109.332 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.572 HD11 ' CG ' ' A' ' 55' ' ' LEU . 24.3 mm -69.07 -35.69 69.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -46.2 -22.24 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.424 ' N ' ' C ' ' A' ' 16' ' ' ILE . 22.1 t0 -52.87 -38.56 61.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.774 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 1.7 p -70.11 -63.9 0.99 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.045 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.774 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 92.82 38.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 69.36 57.24 7.65 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.532 1.145 . . . . 0.0 110.988 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 80' ' ' LEU . . . -158.02 -74.57 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.422 ' C ' ' HB3' ' A' ' 19' ' ' SER . 0.0 OUTLIER -160.83 130.88 5.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 0.776 . . . . 0.0 110.297 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.716 HD22 HD22 ' A' ' 80' ' ' LEU . 0.1 OUTLIER -119.57 169.65 9.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.431 ' HA ' ' HA ' ' A' ' 77' ' ' TYR . 72.5 p -127.52 92.84 3.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 110.388 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.72 HD11 HD22 ' A' ' 55' ' ' LEU . 4.5 mm? -45.22 -27.64 0.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.491 ' CB ' ' HB2' ' A' ' 75' ' ' ASP . . . -65.85 -49.98 66.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.45 -36.69 65.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 110.302 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.602 ' CD1' HD12 ' A' ' 24' ' ' LEU . 1.4 mp -60.03 -54.25 37.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -68.38 -28.72 67.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 0.0 109.274 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -58.45 -50.32 74.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.641 ' CD1' ' C ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -79.02 -24.96 43.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.968 HD21 HD21 ' A' ' 11' ' ' LEU . 3.2 tp -59.22 -53.01 63.19 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -80.38 -29.4 37.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -79.92 -3.58 89.35 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.493 1.121 . . . . 0.0 110.948 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 10.5 tttp -113.3 -52.39 2.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 0.781 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.517 ' CZ ' HD12 ' A' ' 11' ' ' LEU . 32.5 m-85 -85.42 113.6 51.66 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.413 ' HA ' ' HG2' ' A' ' 41' ' ' ARG . 18.3 Cg_endo -74.97 -31.76 5.99 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.452 1.764 . . . . 0.0 111.066 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -68.06 -31.08 70.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.744 ' CE2' ' CE2' ' A' ' 47' ' ' TRP . 0.1 OUTLIER -70.31 -42.72 71.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 110.968 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.413 ' HG2' ' HA ' ' A' ' 38' ' ' PRO . 0.6 OUTLIER -81.74 5.92 17.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -133.6 45.85 1.09 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.496 1.122 . . . . 0.0 111.012 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 36.2 m -151.18 -72.26 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 0.756 . . . . 0.0 110.002 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.583 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 2.7 p90 -168.58 105.66 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.996 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.609 HG22 ' O ' ' A' ' 45' ' ' THR . 10.8 m -78.16 53.97 1.29 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.399 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -136.61 39.88 1.59 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.504 1.127 . . . . 0.0 111.013 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.744 ' CE2' ' CE2' ' A' ' 40' ' ' PHE . 0.1 OUTLIER -109.49 -3.96 16.63 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 11.8 ttp85 -50.46 -25.77 4.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.243 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.421 ' O ' ' HG2' ' A' ' 52' ' ' ARG . 0.9 OUTLIER -76.6 -49.28 16.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.13 -25.05 60.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 109.992 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.471 ' N ' ' O ' ' A' ' 47' ' ' TRP . 2.9 t -71.63 -58.11 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.421 ' HG2' ' O ' ' A' ' 49' ' ' ASN . 14.7 ptt180 -56.42 -47.34 79.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.574 1.171 . . . . 0.0 110.334 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.428 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 0.6 OUTLIER -54.08 -56.78 14.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.591 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.501 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 7.1 t-20 -62.32 -29.16 70.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.72 HD22 HD11 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -54.91 -54.29 44.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.06 -27.07 33.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.005 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.428 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 1.8 tp -80.94 1.07 32.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 22.9 t-20 -112.24 -66.02 1.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.578 ' HB3' ' CD2' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -79.7 -52.93 7.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.256 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.49 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 5.0 m 86.37 72.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 108.317 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.578 ' CD2' ' HB3' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -125.99 -165.7 1.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 110.99 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.418 HG12 ' N ' ' A' ' 63' ' ' LYS . 70.5 t -116.58 160.61 15.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.531 ' HE3' ' CE2' ' A' ' 78' ' ' TRP . 0.0 OUTLIER -118.02 154.08 32.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.434 ' N ' ' HG2' ' A' ' 63' ' ' LYS . 40.7 t -119.14 88.74 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.568 1.167 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' A' ' 64' ' ' VAL . 0.2 OUTLIER -39.23 154.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 0.0 109.239 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.45 ' NH2' ' O ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -60.77 86.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.271 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.23 166.84 11.37 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 68.65 5.76 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.479 1.778 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.6 m -123.45 -45.81 2.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.022 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.51 ' HD3' ' CZ ' ' A' ' 77' ' ' TYR . 1.6 mtp85 -132.22 68.99 80.42 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 110.316 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -0.17 9.64 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.523 1.802 . . . . 0.0 111.034 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -42.86 -41.01 3.12 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -119.53 -131.36 4.21 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.534 1.146 . . . . 0.0 111.042 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.45 ' O ' ' NH2' ' A' ' 66' ' ' ARG . 0.5 OUTLIER -162.58 41.77 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 0.788 . . . . 0.0 109.273 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.491 ' HB2' ' CB ' ' A' ' 27' ' ' ALA . 8.3 p-10 -117.45 -173.7 2.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.407 ' OD1' ' O ' ' A' ' 64' ' ' VAL . 49.7 t30 -132.95 149.66 52.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 109.235 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.56 ' CD1' ' N ' ' A' ' 77' ' ' TYR . 1.3 p90 -131.56 153.83 49.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.964 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.657 ' CZ3' HD22 ' A' ' 55' ' ' LEU . 26.4 m0 -114.43 160.91 18.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 108.011 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.7 ptm -118.98 112.51 19.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 111.022 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.716 HD22 HD22 ' A' ' 24' ' ' LEU . 0.6 OUTLIER -119.01 153.25 34.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -160.23 155.87 22.25 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 109.332 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.16 0 O-C-N 124.473 1.775 . . . . 0.0 110.979 -179.937 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.824 ' HA ' HD23 ' A' ' 11' ' ' LEU . 4.3 m-85 . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.51 0.195 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 33.7 mt -69.84 -55.27 15.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.03 -45.45 79.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 1.003 HD11 HD21 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -58.54 -43.13 89.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.778 HD11 HG13 ' A' ' 51' ' ' VAL . 0.8 OUTLIER -65.12 -37.97 81.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.0 m -58.38 -50.77 72.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.389 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.417 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 3.5 ptt? -69.59 -26.17 64.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.5 ' HB1' HG23 ' A' ' 29' ' ' ILE . . . -70.22 -50.96 34.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.789 HD11 HD21 ' A' ' 55' ' ' LEU . 11.9 mm -67.55 -30.73 49.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.2 -19.5 2.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.511 ' CB ' HD11 ' A' ' 29' ' ' ILE . 19.7 t70 -48.76 -32.73 9.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.3 p -89.09 -142.05 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.989 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -168.5 33.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 79.59 39.42 18.01 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.517 1.135 . . . . 0.0 110.971 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -135.22 -68.74 0.07 OUTLIER Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.1 ptt-85 -162.22 156.6 21.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 0.78 . . . . 0.0 110.278 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.733 HD23 ' HB2' ' A' ' 78' ' ' TRP . 0.1 OUTLIER -160.97 166.77 27.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.415 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 1.4 p -119.31 113.95 21.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.4 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.947 HD11 HD22 ' A' ' 55' ' ' LEU . 3.7 mm? -60.19 -20.62 59.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.66 -47.48 81.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -73.73 -39.58 64.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.425 1.078 . . . . 0.0 110.257 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.511 HD11 ' CB ' ' A' ' 18' ' ' ASP . 0.6 OUTLIER -57.69 -51.52 69.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.405 ' HA ' ' HB2' ' A' ' 33' ' ' LEU . 62.1 m-20 -69.84 -29.99 67.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -57.52 -48.97 77.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.248 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.638 ' CD1' ' C ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -80.01 -26.42 39.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 111.017 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 1.003 HD21 HD11 ' A' ' 11' ' ' LEU . 3.1 tp -57.41 -48.41 79.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -79.86 -28.74 39.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.952 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -78.18 -6.43 87.63 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.524 1.14 . . . . 0.0 110.961 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? -111.79 -55.69 2.47 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.507 0.769 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 9.8 m-30 -83.42 113.77 48.87 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.995 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -39.86 1.06 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.451 1.764 . . . . 0.0 111.003 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -58.57 -33.62 70.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.798 ' CD2' ' CZ2' ' A' ' 47' ' ' TRP . 0.1 OUTLIER -71.5 -36.19 71.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.97 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.12 12.1 14.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.264 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -140.67 40.45 1.37 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.453 1.096 . . . . 0.0 111.032 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 39.4 m -143.5 -69.55 0.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 0.753 . . . . 0.0 110.023 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.568 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 4.4 p90 -169.93 107.99 0.37 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.6 p -77.01 56.67 1.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 110.404 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -142.49 28.52 2.19 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.525 1.141 . . . . 0.0 110.986 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.798 ' CZ2' ' CD2' ' A' ' 40' ' ' PHE . 0.9 OUTLIER -99.34 -12.53 20.22 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.2 ttt180 -50.13 -22.31 1.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -78.46 -48.52 15.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 109.258 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.76 -32.04 63.62 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.131 . . . . 0.0 109.978 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.778 HG13 HD11 ' A' ' 12' ' ' ILE . 5.2 t -69.32 -56.81 10.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.424 ' CG ' ' N ' ' A' ' 53' ' ' HIS . 5.1 ptt180 -57.8 -40.45 79.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.289 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.471 ' O ' HD13 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -57.8 -55.78 30.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 109.587 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.483 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 2.1 t30 -64.3 -28.76 69.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.972 HD23 ' CZ3' ' A' ' 78' ' ' TRP . 1.0 OUTLIER -56.15 -51.37 68.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.272 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.577 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -80.67 -29.98 36.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.007 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.471 HD13 ' O ' ' A' ' 53' ' ' HIS . 10.7 mp -80.73 0.52 34.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.483 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 8.0 t30 -108.43 -76.16 0.62 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.605 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 1.2 m-20 -58.62 -53.14 61.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.52 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.5 OUTLIER 88.93 59.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 108.338 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.605 ' CE2' ' HB2' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -119.19 -169.52 1.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.977 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.6 p -118.65 140.55 41.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 78' ' ' TRP . 0.1 OUTLIER -119.05 175.14 5.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.438 HG22 ' O ' ' A' ' 77' ' ' TYR . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.4 ' O ' ' HB ' ' A' ' 25' ' ' THR . 2.2 m-20 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.438 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.1 OUTLIER -119.33 126.88 52.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 111.024 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.972 ' CZ3' HD23 ' A' ' 55' ' ' LEU . 16.1 m0 -116.48 145.1 43.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 108.026 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -120.45 106.05 11.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.681 ' CD2' HD22 ' A' ' 24' ' ' LEU . 0.6 OUTLIER -119.64 152.56 36.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 13.5 p30 -163.41 158.03 17.31 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.186 0 O-C-N 124.471 1.774 . . . . 0.0 111.053 -179.999 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.471 ' HA ' ' CD2' ' A' ' 11' ' ' LEU . 4.6 m-85 . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.568 0.223 . . . . 0.0 111.034 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.42 HG13 ' N ' ' A' ' 10' ' ' ALA . 7.0 pt -65.65 -32.98 60.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.42 ' N ' HG13 ' A' ' 9' ' ' ILE . . . -74.2 -55.98 5.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.826 ' CD1' HD21 ' A' ' 33' ' ' LEU . 1.1 pp -56.35 -28.67 59.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.243 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 1.012 ' CD1' HD12 ' A' ' 55' ' ' LEU . 3.3 mm -72.55 -49.94 38.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.8 m -51.86 -45.88 64.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.412 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.3 ptt? -72.36 -31.05 65.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.964 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.401 ' O ' HD11 ' A' ' 29' ' ' ILE . . . -66.81 -45.24 78.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.331 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.947 HD11 ' CG ' ' A' ' 55' ' ' LEU . 10.4 mm -73.65 -29.79 27.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.87 -17.59 1.47 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.304 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -51.47 -32.29 26.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.2 p -86.23 -144.33 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.95 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -166.07 31.68 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 80' ' ' LEU . . . 82.28 42.45 8.62 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 80' ' ' LEU . . . -141.32 -67.79 0.03 OUTLIER Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -160.75 155.73 24.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 0.764 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.604 HD22 HD22 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -150.27 172.93 14.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.449 HG22 ' HB3' ' A' ' 77' ' ' TYR . 37.8 p -124.01 110.75 15.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.413 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.89 HD11 HD22 ' A' ' 55' ' ' LEU . 3.7 mm? -62.68 -25.13 67.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.91 -52.0 64.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -72.97 -34.03 66.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 110.316 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.608 HG21 HD13 ' A' ' 26' ' ' LEU . 0.9 OUTLIER -59.33 -53.91 41.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.501 ' N ' HG22 ' A' ' 29' ' ' ILE . 11.8 t-20 -69.02 -29.54 67.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -57.49 -48.87 78.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.264 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.631 ' CD1' ' C ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -80.29 -25.98 39.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.976 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.826 HD21 ' CD1' ' A' ' 11' ' ' LEU . 3.5 tp -58.45 -50.23 74.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 6.0 ttp -79.98 -20.82 44.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -80.16 -9.53 86.51 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.443 1.09 . . . . 0.0 111.008 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.12 -55.79 2.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 0.742 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.451 ' CE2' HD22 ' A' ' 11' ' ' LEU . 3.3 m-85 -69.88 112.92 13.94 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.406 ' HA ' ' HG2' ' A' ' 41' ' ' ARG . 18.2 Cg_endo -75.03 -34.78 3.54 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.483 1.78 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -64.67 -32.24 73.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 111.012 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.795 ' CD2' ' CZ2' ' A' ' 47' ' ' TRP . 1.3 m-30 -69.31 -43.63 73.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 111.011 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.406 ' HG2' ' HA ' ' A' ' 38' ' ' PRO . 5.3 ptm180 -82.2 6.79 15.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 110.264 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -135.49 24.29 3.37 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.445 1.091 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.7 m -135.47 -79.93 0.43 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 0.763 . . . . 0.0 110.006 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.534 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 1.8 p90 -165.65 119.44 1.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.982 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 38.6 m -86.9 51.19 2.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.422 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -128.02 41.49 1.58 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.536 1.147 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.795 ' CZ2' ' CD2' ' A' ' 40' ' ' PHE . 2.0 p-90 -120.36 3.68 10.79 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.422 ' HG2' ' ND2' ' A' ' 30' ' ' ASN . 55.1 mtp180 -54.72 -29.15 52.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -79.32 -37.41 37.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 28.9 m -75.98 -38.72 57.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.99 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.694 HG22 HD11 ' A' ' 12' ' ' ILE . 0.3 OUTLIER -68.1 -52.28 40.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 109.305 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.54 ' N ' ' CG1' ' A' ' 51' ' ' VAL . 7.0 ptm180 -60.17 -42.82 95.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.324 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.496 ' N ' ' CG ' ' A' ' 52' ' ' ARG . 5.3 m170 -55.28 -56.97 13.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 109.59 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.466 ' O ' ' N ' ' A' ' 58' ' ' ASN . 1.3 m-20 -62.76 -31.71 72.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.265 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 1.012 HD12 ' CD1' ' A' ' 12' ' ' ILE . 0.4 OUTLIER -52.88 -50.1 64.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.553 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -79.83 -30.74 40.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.161 . . . . 0.0 109.988 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -80.13 1.29 28.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.466 ' N ' ' O ' ' A' ' 54' ' ' ASN . 0.9 OUTLIER -99.21 -88.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.548 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 0.2 OUTLIER -57.26 -50.23 73.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.336 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.548 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 4.4 t 92.46 64.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 108.328 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.553 ' CE1' ' HA ' ' A' ' 56' ' ' SER . 0.2 OUTLIER -119.22 -165.33 1.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 110.982 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 93.8 t -116.19 159.15 16.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.595 ' HB2' ' CD1' ' A' ' 78' ' ' TRP . 0.0 OUTLIER -118.63 152.07 36.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 57.7 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 109.31 -179.973 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.418 ' OD1' ' N ' ' A' ' 76' ' ' ASN . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.449 ' HB3' HG22 ' A' ' 25' ' ' THR . 5.0 p90 -131.78 157.32 44.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 111.041 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.615 ' CZ3' HD23 ' A' ' 55' ' ' LEU . 31.7 m0 -114.6 161.52 17.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 108.002 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 13.8 ttm -119.23 111.32 18.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.981 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.604 HD22 HD22 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -118.79 153.19 34.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -160.6 153.39 17.74 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.51 1.795 . . . . 0.0 111.071 179.951 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.927 ' HA ' HD23 ' A' ' 11' ' ' LEU . 4.1 m-85 . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.508 0.194 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -53.91 -40.72 45.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.52 -50.42 63.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 1.131 HD11 HD21 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -54.97 -36.8 65.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 1.009 HD12 HD12 ' A' ' 55' ' ' LEU . 10.2 mm -67.68 -46.44 82.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.249 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 84.4 m -52.16 -49.09 64.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 110.415 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 3.9 ptt? -73.14 -26.47 61.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.22 -43.08 74.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.344 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.884 HD11 ' CG ' ' A' ' 55' ' ' LEU . 3.9 mm -80.77 -24.07 10.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.8 -15.46 3.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 110.301 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -58.43 -33.94 70.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.102 . . . . 0.0 109.267 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.1 p -82.79 -143.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.027 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -169.32 32.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.079 . . . . 0.0 109.308 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.427 ' CA ' ' HD2' ' A' ' 82' ' ' PRO . . . 80.47 41.69 11.13 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 80' ' ' LEU . . . -139.44 -68.79 0.04 OUTLIER Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.3 ptt180 -161.16 162.41 31.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 0.778 . . . . 0.0 110.314 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.649 HD21 HD22 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -160.15 170.25 21.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.275 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.451 ' HA ' ' HA ' ' A' ' 77' ' ' TYR . 15.7 p -118.38 112.52 20.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.388 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.698 HD11 HD22 ' A' ' 55' ' ' LEU . 3.2 mm? -63.94 -27.3 69.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.55 -53.23 57.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -70.66 -35.04 72.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.276 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.443 HG21 HD13 ' A' ' 26' ' ' LEU . 1.1 mp -57.68 -49.39 80.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.415 ' ND2' ' HD3' ' A' ' 48' ' ' ARG . 0.8 OUTLIER -69.45 -32.38 71.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -56.1 -51.01 69.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 110.257 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.648 ' CD1' ' C ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -75.7 -28.82 58.77 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 110.961 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 1.131 HD21 HD11 ' A' ' 11' ' ' LEU . 2.3 tp -56.95 -48.05 79.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 6.3 mtt -78.2 -28.12 47.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 110.999 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -76.11 -13.76 82.92 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.433 1.083 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.5 mtpt -102.96 -57.6 2.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 0.776 . . . . 0.0 109.299 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -80.11 113.67 40.45 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 111.031 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -39.5 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.495 1.787 . . . . 0.0 110.98 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -59.1 -32.29 69.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.98 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.756 ' CD2' ' CZ2' ' A' ' 47' ' ' TRP . 0.1 OUTLIER -76.29 -28.0 56.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.969 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.64 3.13 38.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.375 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -144.15 54.11 0.58 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.477 1.111 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 73.7 m -150.3 -72.97 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 0.73 . . . . 0.0 109.986 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.552 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 1.9 p90 -174.81 117.65 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 111.034 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.8 t -87.5 52.27 2.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.398 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -126.03 27.03 5.2 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.485 1.115 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.756 ' CZ2' ' CD2' ' A' ' 40' ' ' PHE . 3.4 p-90 -106.66 0.04 24.04 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.415 ' HD3' ' ND2' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -52.22 -30.68 28.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.468 ' H ' ' ND2' ' A' ' 49' ' ' ASN . 1.7 p30 -75.3 -53.68 8.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.52 -40.74 97.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.017 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.672 HG21 ' CE3' ' A' ' 47' ' ' TRP . 2.1 t -60.21 -56.54 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.469 ' HG2' ' CH2' ' A' ' 78' ' ' TRP . 54.3 mtt180 -58.8 -40.37 83.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 110.269 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.607 ' CD2' HD22 ' A' ' 57' ' ' LEU . 17.6 t60 -57.69 -57.42 12.83 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.123 . . . . 0.0 109.576 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.461 ' O ' ' N ' ' A' ' 58' ' ' ASN . 0.7 OUTLIER -62.03 -34.23 75.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 1.009 HD12 HD12 ' A' ' 12' ' ' ILE . 0.4 OUTLIER -52.7 -49.26 65.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.549 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.2 OUTLIER -80.29 -30.07 38.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.991 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.607 HD22 ' CD2' ' A' ' 53' ' ' HIS . 4.4 mp -80.46 1.38 29.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 54' ' ' ASN . 4.7 m-20 -98.39 -89.84 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.56 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 0.2 OUTLIER -56.65 -47.79 78.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.548 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 3.6 t 91.4 63.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 108.269 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -119.73 -165.33 1.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 111.033 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 94.7 t -116.36 153.59 17.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.343 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.589 ' HB2' ' CD1' ' A' ' 78' ' ' TRP . 0.0 OUTLIER -118.28 150.51 39.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.297 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 25.6 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.96 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.451 ' HA ' ' HA ' ' A' ' 25' ' ' THR . 13.4 p90 -143.79 157.69 44.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.943 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.614 ' CZ3' ' CD2' ' A' ' 55' ' ' LEU . 31.0 m0 -114.75 162.37 16.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 108.006 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -119.53 111.79 18.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 110.978 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.492 ' CB ' ' HB3' ' A' ' 61' ' ' PHE . 0.6 OUTLIER -118.83 156.56 29.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -167.49 75.97 0.97 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.568 1.167 . . . . 0.0 109.284 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.427 ' HD2' ' CA ' ' A' ' 21' ' ' GLY . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.142 0 O-C-N 124.498 1.788 . . . . 0.0 111.018 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.995 ' HA ' HD23 ' A' ' 11' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.508 0.194 . . . . 0.0 111.015 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 24.7 pt -61.44 -36.82 75.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.25 -52.87 23.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 1.035 ' CD1' HD21 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -49.96 -38.57 37.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.258 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.862 ' CD1' HD12 ' A' ' 55' ' ' LEU . 5.6 mm -68.35 -46.34 80.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.266 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 54.1 m -54.7 -49.4 70.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.433 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.1 ptt? -70.98 -25.69 62.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 110.955 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.439 ' O ' ' CG1' ' A' ' 29' ' ' ILE . . . -71.92 -42.16 67.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.904 HD11 HD21 ' A' ' 55' ' ' LEU . 8.2 mm -80.2 -22.58 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.9 ttp180 -59.41 -12.32 5.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.409 ' HB3' HD12 ' A' ' 24' ' ' LEU . 4.6 t70 -77.4 0.23 23.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.767 ' CB ' HD21 ' A' ' 80' ' ' LEU . 0.9 OUTLIER -96.1 -47.98 5.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.093 . . . . 0.0 109.949 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.646 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 82.19 43.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.344 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 54.38 52.08 47.02 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.516 1.135 . . . . 0.0 111.041 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -154.33 -79.06 0.02 OUTLIER Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -163.96 154.56 15.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 0.778 . . . . 0.0 110.267 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.752 HD13 ' HB3' ' A' ' 19' ' ' SER . 0.2 OUTLIER -161.7 170.59 19.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.26 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.418 HG22 ' CE1' ' A' ' 77' ' ' TYR . 3.2 p -104.04 105.45 15.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.098 . . . . 0.0 110.358 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.876 HD23 ' CD2' ' A' ' 78' ' ' TRP . 0.6 OUTLIER -52.69 -31.49 37.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.4 -49.13 75.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.36 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -67.07 -29.17 68.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.465 HG21 HD13 ' A' ' 26' ' ' LEU . 1.1 mp -59.62 -54.63 31.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.463 ' N ' HG22 ' A' ' 29' ' ' ILE . 31.0 m-20 -68.15 -30.4 69.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -56.82 -49.99 73.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.705 ' CE1' HD12 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -78.91 -26.93 43.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 1.035 HD21 ' CD1' ' A' ' 11' ' ' LEU . 2.0 tp -60.7 -47.96 83.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.6 ptt? -74.08 -32.15 63.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -76.46 -8.42 85.82 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.51 1.131 . . . . 0.0 111.036 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.6 mttp -106.98 -54.64 2.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 0.778 . . . . 0.0 109.295 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -75.87 113.6 28.81 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 0.0 111.022 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -39.28 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -65.68 -22.19 66.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.975 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.503 ' CD2' ' CZ2' ' A' ' 47' ' ' TRP . 2.1 m-30 -75.78 -49.61 17.63 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -71.57 -6.16 38.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -102.3 -47.48 1.43 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.572 1.17 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.5 m -69.9 -76.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 0.747 . . . . 0.0 110.005 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.495 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 15.2 p90 -169.17 126.26 0.94 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.574 HG23 ' CH2' ' A' ' 47' ' ' TRP . 48.8 m -94.02 48.67 1.27 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 110.389 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -125.0 47.62 1.01 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.519 1.137 . . . . 0.0 111.026 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.574 ' CH2' HG23 ' A' ' 45' ' ' THR . 0.0 OUTLIER -116.81 14.29 15.2 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.09 -31.33 69.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 110.3 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -71.95 -55.42 7.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 33.9 m -65.46 -33.18 75.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.017 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.535 HG13 HD11 ' A' ' 12' ' ' ILE . 3.0 t -61.92 -57.78 10.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.426 1.079 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.423 ' HG3' ' N ' ' A' ' 53' ' ' HIS . 0.5 OUTLIER -61.33 -29.57 69.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.318 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.666 ' O ' HD13 ' A' ' 57' ' ' LEU . 1.5 t-160 -59.65 -55.97 27.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.62 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 58' ' ' ASN . 6.0 t-20 -73.61 -28.97 62.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.904 HD21 HD11 ' A' ' 16' ' ' ILE . 0.5 OUTLIER -56.35 -52.66 63.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.2 t -74.45 -32.24 62.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.999 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.666 HD13 ' O ' ' A' ' 53' ' ' HIS . 10.9 mp -80.72 1.3 30.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 54' ' ' ASN . 14.3 t30 -93.06 -80.97 0.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.591 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 0.4 OUTLIER -79.52 -50.85 10.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.591 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 3.3 t 95.77 78.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 108.264 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.577 ' CE1' HD23 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -123.96 -166.52 1.5 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.521 HG12 ' O ' ' A' ' 79' ' ' MET . 12.9 p -119.21 155.91 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.471 ' HB2' ' CD2' ' A' ' 78' ' ' TRP . 1.7 tttt -119.42 146.09 45.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.673 HG13 ' O ' ' A' ' 77' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.524 ' OD1' ' CD1' ' A' ' 78' ' ' TRP . 20.2 p30 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.673 ' O ' HG13 ' A' ' 64' ' ' VAL . 1.2 m-85 -121.06 146.13 47.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 111.017 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.876 ' CD2' HD23 ' A' ' 26' ' ' LEU . 11.4 m0 -122.2 159.45 27.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 108.056 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.521 ' O ' HG12 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -134.61 108.15 7.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 111.0 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.767 HD21 ' CB ' ' A' ' 19' ' ' SER . 0.7 OUTLIER -118.93 150.22 40.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 109.284 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -160.51 138.12 7.02 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.178 0 O-C-N 124.496 1.787 . . . . 0.0 110.967 -179.975 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.518 0.199 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -60.77 -35.26 63.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.57 -39.74 84.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.283 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.846 HD13 ' CE1' ' A' ' 37' ' ' PHE . 6.9 tp -60.03 -48.94 79.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 1.048 ' O ' HG22 ' A' ' 16' ' ' ILE . 1.0 OUTLIER -66.9 -39.09 82.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.432 ' O ' ' CB ' ' A' ' 17' ' ' ARG . 21.4 m -57.7 -49.36 76.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.391 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.601 ' CE ' HD12 ' A' ' 11' ' ' LEU . 3.8 ptt? -70.05 -28.43 65.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.654 ' HB2' ' OH ' ' A' ' 32' ' ' TYR . . . -69.47 -59.7 2.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 1.048 HG22 ' O ' ' A' ' 12' ' ' ILE . 0.3 OUTLIER -65.59 -29.93 48.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.274 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.436 ' C ' ' N ' ' A' ' 19' ' ' SER . 0.0 OUTLIER -57.05 -14.07 3.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.252 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.458 ' HB2' HD11 ' A' ' 29' ' ' ILE . 11.2 t0 -47.74 -22.96 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.487 ' OG ' ' N ' ' A' ' 20' ' ' ALA . 1.7 p -86.19 -149.71 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.977 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.487 ' N ' ' OG ' ' A' ' 19' ' ' SER . . . -154.45 23.18 0.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.17 41.38 3.04 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.479 1.112 . . . . 0.0 111.043 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -142.39 -76.32 0.04 OUTLIER Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.434 ' CB ' ' HA ' ' A' ' 79' ' ' MET . 0.0 OUTLIER -164.97 163.41 20.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 0.76 . . . . 0.0 110.276 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.593 ' CD1' ' N ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -161.63 164.11 29.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.6 p -94.6 123.85 38.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.45 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.768 HD11 ' CD1' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -76.74 -24.85 53.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.63 -47.97 82.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -72.15 -42.43 65.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.651 HG23 ' HB1' ' A' ' 15' ' ' ALA . 0.7 OUTLIER -53.09 -50.61 44.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.295 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 30.3 m120 -72.03 -30.67 65.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -56.39 -48.51 76.74 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.461 1.101 . . . . 0.0 110.268 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.79 ' CE1' HD12 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -79.67 -30.01 41.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.79 HD12 ' CE1' ' A' ' 32' ' ' TYR . 1.8 tp -54.42 -48.38 71.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.3 ttp -75.93 -31.13 58.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 111.037 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.67 -13.03 78.23 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.528 1.142 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.75 -51.09 3.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.525 0.78 . . . . 0.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.846 ' CE1' HD13 ' A' ' 11' ' ' LEU . 6.0 m-85 -80.85 113.72 42.63 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.945 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -39.97 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.497 1.788 . . . . 0.0 111.029 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -60.8 -31.88 71.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 110.991 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.56 ' CD2' ' CZ2' ' A' ' 47' ' ' TRP . 2.5 m-85 -69.63 -40.29 76.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.986 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -81.05 -11.21 59.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 0.0 110.272 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -100.86 -47.29 1.63 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.438 1.086 . . . . 0.0 111.012 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 52.5 m -69.48 -74.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 0.733 . . . . 0.0 109.993 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.424 ' O ' ' CG ' ' A' ' 44' ' ' TYR . 1.5 p90 -174.67 132.81 0.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 111.015 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.555 HG23 ' CZ2' ' A' ' 47' ' ' TRP . 10.2 m -98.66 47.87 0.98 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.362 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -123.82 57.02 0.67 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.487 1.117 . . . . 0.0 111.02 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.56 ' CZ2' ' CD2' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -126.91 12.36 7.25 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.058 -1.089 . . . . 0.0 108.058 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.0 mtm180 -61.16 -23.73 65.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.294 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -74.93 -52.69 10.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.279 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.68 -38.4 73.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.025 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.824 HG13 HD11 ' A' ' 12' ' ' ILE . 4.8 t -62.3 -57.21 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.582 ' HG3' ' CH2' ' A' ' 78' ' ' TRP . 41.7 ttt180 -54.89 -44.64 74.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.347 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.479 ' CD2' HD13 ' A' ' 57' ' ' LEU . 4.0 t-160 -56.39 -57.79 10.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.1 . . . . 0.0 109.615 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.37 -26.98 68.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.914 HD13 ' CZ3' ' A' ' 78' ' ' TRP . 0.3 OUTLIER -58.88 -52.67 64.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 t -81.8 -23.79 36.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.978 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.479 HD13 ' CD2' ' A' ' 53' ' ' HIS . 0.5 OUTLIER -78.99 1.06 25.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -119.46 -51.81 2.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.579 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . 1.0 OUTLIER -80.91 -58.68 2.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.527 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.8 OUTLIER 90.4 69.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 108.326 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.741 ' HZ ' HD22 ' A' ' 55' ' ' LEU . 5.6 p90 -133.73 -163.36 1.35 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 110.999 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 49.0 t -119.69 156.87 22.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.613 ' HB2' ' CD1' ' A' ' 78' ' ' TRP . 0.0 OUTLIER -119.01 151.11 38.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.509 ' CG2' ' O ' ' A' ' 77' ' ' TYR . 19.2 m . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.553 ' CD1' ' N ' ' A' ' 77' ' ' TYR . 1.6 p90 -139.5 162.36 35.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 111.044 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.914 ' CZ3' HD13 ' A' ' 55' ' ' LEU . 16.9 m0 -118.33 161.22 20.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 107.998 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.434 ' HA ' ' CB ' ' A' ' 23' ' ' ARG . 2.2 ptm -119.29 113.6 21.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.738 HD23 ' H ' ' A' ' 80' ' ' LEU . 2.5 pt? -121.05 141.04 51.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 23.1 p-10 -146.41 144.28 20.7 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.168 0 O-C-N 124.504 1.792 . . . . 0.0 111.005 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 N--CA 1.452 -0.355 0 CA-C-O 120.523 0.202 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.417 HG13 ' N ' ' A' ' 10' ' ' ALA . 46.0 pt -65.07 -42.86 95.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.417 ' N ' HG13 ' A' ' 9' ' ' ILE . . . -59.7 -49.52 77.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.853 HD21 HD21 ' A' ' 33' ' ' LEU . 0.5 OUTLIER -56.24 -44.1 79.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.253 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.764 HD12 HD23 ' A' ' 11' ' ' LEU . 1.1 mp -63.13 -40.81 90.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.426 HG22 ' HD2' ' A' ' 17' ' ' ARG . 4.4 m -57.45 -55.81 30.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.404 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.415 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 3.1 ptt? -62.67 -26.27 68.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.565 ' HB1' HG23 ' A' ' 29' ' ' ILE . . . -73.25 -48.98 30.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.356 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.773 HD11 HD22 ' A' ' 80' ' ' LEU . 0.4 OUTLIER -74.34 -19.04 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.426 ' HD2' HG22 ' A' ' 13' ' ' THR . 2.2 mtt180 -72.42 -2.51 19.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 110.324 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.464 ' HB3' HD12 ' A' ' 24' ' ' LEU . 2.0 t70 -65.03 -11.33 37.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.405 ' OG ' ' N ' ' A' ' 20' ' ' ALA . 9.1 p -95.04 -146.12 0.27 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.029 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.405 ' N ' ' OG ' ' A' ' 19' ' ' SER . . . -155.96 25.6 0.37 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 80' ' ' LEU . . . 82.28 39.99 10.63 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.564 1.165 . . . . 0.0 111.032 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 80' ' ' LEU . . . -138.02 -68.98 0.05 OUTLIER Glycine 0 CA--C 1.531 1.048 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.0 ptt180 -161.43 150.89 16.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 0.787 . . . . 0.0 110.325 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.868 HD21 HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -161.06 153.89 20.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.351 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -99.94 116.16 31.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.44 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.96 HD11 HD12 ' A' ' 55' ' ' LEU . 1.3 mm? -63.67 -25.94 68.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.54 -48.95 73.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -67.66 -34.9 77.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.565 HG23 ' HB1' ' A' ' 15' ' ' ALA . 1.2 mp -60.05 -57.32 12.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.499 ' N ' HG22 ' A' ' 29' ' ' ILE . 74.3 m-20 -62.99 -29.63 70.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -58.21 -51.61 69.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 110.325 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.613 ' CD1' ' C ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -79.15 -25.31 42.87 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.107 . . . . 0.0 110.995 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.853 HD21 HD21 ' A' ' 11' ' ' LEU . 2.6 tp -58.88 -49.42 77.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 0.0 109.307 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 5.9 mtp -79.05 -19.78 50.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 111.019 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -80.14 -38.75 17.77 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.516 1.135 . . . . 0.0 110.936 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -82.36 -37.05 26.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 0.766 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.786 ' CZ ' HD12 ' A' ' 11' ' ' LEU . 5.8 m-85 -108.87 107.26 59.91 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -29.64 8.03 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.507 1.793 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -54.4 -39.55 67.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 111.044 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -77.19 -36.07 55.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 110.982 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -80.98 4.67 18.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -118.27 -40.42 0.68 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.589 1.181 . . . . 0.0 110.963 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.9 m -69.81 -75.73 0.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 0.756 . . . . 0.0 110.005 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.557 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 1.8 p90 -170.1 123.37 0.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 111.012 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 71.7 p -91.23 33.14 0.98 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 110.366 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -100.37 42.43 1.96 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.469 1.106 . . . . 0.0 110.955 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.406 ' CD1' ' O ' ' A' ' 44' ' ' TYR . 2.3 p-90 -124.16 3.72 8.57 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 15.1 ttm180 -50.17 -36.44 30.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.439 ' H ' ' ND2' ' A' ' 49' ' ' ASN . 2.9 p30 -80.14 -51.0 9.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 82.3 p -53.89 -44.8 70.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.989 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.544 ' CG2' HD11 ' A' ' 12' ' ' ILE . 0.9 OUTLIER -68.94 -55.29 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.528 ' HG3' ' CZ2' ' A' ' 78' ' ' TRP . 10.3 ttm105 -48.03 -29.79 3.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.314 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -76.09 -52.65 9.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.616 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.416 ' O ' ' HB2' ' A' ' 58' ' ' ASN . 0.7 OUTLIER -66.3 -17.63 64.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.123 . . . . 0.0 109.264 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.96 HD12 HD11 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -80.17 -48.63 12.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.42 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -64.99 -42.47 94.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.996 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.948 ' O ' HD12 ' A' ' 57' ' ' LEU . 0.4 OUTLIER -80.78 1.44 30.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.416 ' HB2' ' O ' ' A' ' 54' ' ' ASN . 0.5 OUTLIER -80.62 -72.55 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.506 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 1.6 m-20 -80.89 -36.63 30.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.5 OUTLIER 88.2 57.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 108.325 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.597 ' CE1' ' CE3' ' A' ' 78' ' ' TRP . 1.0 OUTLIER -119.23 -167.71 1.45 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.5 ' CG1' ' SD ' ' A' ' 79' ' ' MET . 5.3 p -119.17 146.21 24.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.468 ' HA ' ' HA ' ' A' ' 78' ' ' TRP . 0.0 OUTLIER -118.96 163.06 17.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.337 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.591 HG22 ' O ' ' A' ' 64' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -122.51 142.2 50.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.969 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.863 ' CZ3' HD13 ' A' ' 55' ' ' LEU . 12.0 m0 -118.46 140.42 49.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.128 . . . . 0.0 107.97 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.5 ' SD ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -119.22 102.84 9.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.976 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.773 HD22 HD11 ' A' ' 16' ' ' ILE . 1.0 OUTLIER -121.15 137.29 54.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.346 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 38.7 p-10 -142.22 157.95 62.26 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.133 0 O-C-N 124.479 1.779 . . . . 0.0 111.012 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.483 0.182 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.0 pt -56.9 -30.99 34.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.26 -51.55 43.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.102 . . . . 0.0 109.276 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.696 ' C ' HD12 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -54.03 -48.99 69.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 1.003 HD11 HG13 ' A' ' 51' ' ' VAL . 1.0 OUTLIER -62.58 -43.88 98.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.5 m -53.48 -47.68 69.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.346 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.451 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 5.3 ptt? -76.12 -18.23 59.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 111.047 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.513 ' HB1' HG13 ' A' ' 29' ' ' ILE . . . -76.34 -49.04 17.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.86 ' HA ' HD13 ' A' ' 24' ' ' LEU . 15.2 mm -73.58 -31.95 34.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.59 -15.88 8.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 110.282 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.492 ' HB2' HD11 ' A' ' 29' ' ' ILE . 32.7 t70 -58.15 -26.23 62.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.437 ' OG ' ' CB ' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -83.8 -149.63 0.1 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 109.967 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -166.25 30.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 85.58 43.24 6.57 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -142.44 -72.97 0.03 OUTLIER Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.48 ' HA ' ' HA ' ' A' ' 79' ' ' MET . 3.8 ppt_? -161.56 159.32 27.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 0.763 . . . . 0.0 110.302 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.86 HD13 ' HA ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -151.62 158.35 43.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.715 HG22 ' HB3' ' A' ' 77' ' ' TYR . 80.7 p -108.19 110.16 21.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.375 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.911 HD11 HD22 ' A' ' 55' ' ' LEU . 3.6 mm? -59.47 -32.46 70.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.05 -52.75 64.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.25 -45.68 87.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.678 HG12 HD11 ' A' ' 24' ' ' LEU . 0.6 OUTLIER -55.54 -30.58 26.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -72.22 -54.43 9.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -61.1 -25.39 66.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -80.69 -49.83 10.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.912 HD13 ' N ' ' A' ' 34' ' ' MET . 0.0 OUTLIER -59.58 -39.03 82.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.912 ' N ' HD13 ' A' ' 33' ' ' LEU . 13.9 mtt -65.33 -49.2 70.32 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.529 1.143 . . . . 0.0 111.018 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.2 -8.41 50.07 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.528 1.142 . . . . 0.0 111.012 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.64 -23.71 12.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 0.767 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.429 ' CE1' ' HE2' ' A' ' 14' ' ' MET . 8.3 m-85 -125.04 96.74 39.31 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 110.998 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -32.99 5.01 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.497 1.788 . . . . 0.0 111.037 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -62.69 -33.3 74.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.738 ' CE2' ' CD2' ' A' ' 47' ' ' TRP . 1.0 OUTLIER -75.01 -26.82 59.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 111.004 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 39.6 ttt-85 -88.47 17.35 5.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.298 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -143.44 53.94 0.59 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.48 1.113 . . . . 0.0 111.041 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.6 m -155.41 -71.47 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 0.767 . . . . 0.0 110.014 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.566 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 5.1 p90 -163.99 105.99 0.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 58.6 p -74.38 57.61 0.71 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.338 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -138.58 25.95 2.81 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.5 1.125 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.738 ' CD2' ' CE2' ' A' ' 40' ' ' PHE . 0.9 OUTLIER -100.28 -4.31 29.58 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.45 ' HG3' ' CZ3' ' A' ' 47' ' ' TRP . 11.1 mtp180 -60.08 -29.94 68.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 110.31 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -74.42 -54.86 6.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 19.7 m -63.95 -36.3 83.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.009 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 1.003 HG13 HD11 ' A' ' 12' ' ' ILE . 10.7 t -64.67 -56.85 13.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.57 ' HG2' ' CH2' ' A' ' 78' ' ' TRP . 41.8 mtm180 -55.3 -44.7 76.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.117 . . . . 0.0 110.346 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.403 ' O ' HD23 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -55.21 -55.49 30.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.592 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -65.73 -22.46 66.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.911 HD22 HD11 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -61.9 -50.91 70.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.574 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -81.23 -26.72 35.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.008 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.403 HD23 ' O ' ' A' ' 53' ' ' HIS . 4.1 mm? -80.81 1.07 32.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 20.9 t30 -106.82 -74.16 0.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.554 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 0.3 OUTLIER -66.47 -53.5 34.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.26 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.543 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 1.2 t 91.3 65.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 108.27 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.574 ' CE1' ' HA ' ' A' ' 56' ' ' SER . 0.2 OUTLIER -119.12 -166.19 1.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.982 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -117.02 165.06 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.527 ' HE2' ' CE2' ' A' ' 78' ' ' TRP . 26.4 ttmt -119.33 150.66 39.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.425 ' N ' ' HG2' ' A' ' 63' ' ' LYS . 44.2 t . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.715 ' HB3' HG22 ' A' ' 25' ' ' THR . 5.4 p90 -120.65 156.57 31.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 111.053 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.722 ' CG ' HD23 ' A' ' 26' ' ' LEU . 13.6 m0 -113.12 157.78 21.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.14 . . . . 0.0 107.991 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.48 ' HA ' ' HA ' ' A' ' 23' ' ' ARG . 2.9 mtp -119.36 110.62 17.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 111.052 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.553 HD13 ' CG2' ' A' ' 16' ' ' ILE . 0.6 OUTLIER -118.92 141.41 48.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 -145.43 157.91 51.69 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.202 0 O-C-N 124.466 1.772 . . . . 0.0 111.0 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.479 0.18 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.4 pp -54.61 -37.74 40.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.89 -42.37 94.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.724 ' C ' HD12 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -57.07 -51.25 70.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.921 ' CD1' HD12 ' A' ' 55' ' ' LEU . 9.2 mm -56.02 -49.72 73.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.353 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.433 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 19.2 m -48.69 -53.22 19.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 110.433 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.46 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 8.2 ptt? -72.14 -13.57 61.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 111.024 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 12' ' ' ILE . . . -79.62 -45.61 18.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.923 HD11 ' CG ' ' A' ' 55' ' ' LEU . 9.6 mm -80.59 -20.86 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.433 ' HB2' ' O ' ' A' ' 13' ' ' THR . 0.1 OUTLIER -64.01 -10.03 19.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 110.302 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.477 ' CB ' HD11 ' A' ' 29' ' ' ILE . 6.7 t70 -63.19 -33.17 74.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.406 ' OG ' ' N ' ' A' ' 20' ' ' ALA . 10.5 p -84.3 -144.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.128 . . . . 0.0 109.971 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.406 ' N ' ' OG ' ' A' ' 19' ' ' SER . . . -167.86 31.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 84.96 43.23 6.81 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.496 1.122 . . . . 0.0 110.969 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 80' ' ' LEU . . . -143.89 -70.37 0.02 OUTLIER Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.8 ptt85 -161.32 159.64 28.73 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.511 0.771 . . . . 0.0 110.258 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.756 HD13 ' HA ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -158.0 162.89 38.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.637 HG22 ' HB3' ' A' ' 77' ' ' TYR . 65.3 p -109.68 120.19 41.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 110.414 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.876 HD11 HD22 ' A' ' 55' ' ' LEU . 3.0 mm? -71.97 -25.38 61.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.61 -57.93 7.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.57 -39.17 92.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 110.311 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.508 HG22 ' N ' ' A' ' 30' ' ' ASN . 1.2 mp -59.23 -57.14 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.508 ' N ' HG22 ' A' ' 29' ' ' ILE . 60.2 m-20 -49.68 -43.01 46.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -70.3 -24.02 62.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.309 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.407 ' N ' ' O ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -80.97 -37.76 28.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.984 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 1.01 HD13 ' N ' ' A' ' 34' ' ' MET . 0.0 OUTLIER -69.1 -43.82 73.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 1.01 ' N ' HD13 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -62.41 -44.06 97.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.998 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.64 -5.13 67.69 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -106.01 -36.64 6.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 0.784 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.702 ' CD2' ' CD2' ' A' ' 33' ' ' LEU . 9.9 m-30 -103.51 106.74 53.39 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.408 ' HA ' ' HG2' ' A' ' 41' ' ' ARG . 18.1 Cg_endo -75.06 -19.34 17.82 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.476 1.777 . . . . 0.0 110.951 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -78.07 -28.26 48.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.768 ' CD2' ' CZ2' ' A' ' 47' ' ' TRP . 0.0 OUTLIER -78.74 -33.8 46.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.408 ' HG2' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -86.46 11.59 12.18 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.475 1.109 . . . . 0.0 110.264 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -128.14 24.74 5.01 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.48 1.112 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 69.8 m -138.25 -76.81 0.38 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 0.791 . . . . 0.0 110.011 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.554 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 1.9 p90 -168.33 118.51 0.77 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.562 ' O ' HG23 ' A' ' 45' ' ' THR . 9.6 t -85.75 60.55 6.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.14 . . . . 0.0 110.374 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -137.36 41.73 1.37 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.768 ' CZ2' ' CD2' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -115.48 13.95 16.56 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 15.5 ttt-85 -61.22 -25.75 67.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 31.5 t-20 -73.5 -53.37 10.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.413 1.071 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.4 -26.93 62.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.995 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 47' ' ' TRP . 4.5 t -73.13 -59.49 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.419 ' HG3' ' N ' ' A' ' 53' ' ' HIS . 0.8 OUTLIER -57.9 -33.73 69.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 110.339 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.527 ' CE1' HD22 ' A' ' 57' ' ' LEU . 65.8 t-80 -64.41 -55.62 19.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.602 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.455 ' O ' ' N ' ' A' ' 58' ' ' ASN . 1.2 t30 -64.34 -31.29 72.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.923 ' CG ' HD11 ' A' ' 16' ' ' ILE . 0.4 OUTLIER -57.2 -48.68 78.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.571 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 1.6 t -77.55 -33.44 54.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.027 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.527 HD22 ' CE1' ' A' ' 53' ' ' HIS . 2.6 mp -80.85 0.97 32.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 54' ' ' ASN . 2.5 m-20 -96.46 -92.26 0.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.562 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 0.4 OUTLIER -53.67 -46.33 70.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.5 OUTLIER 88.82 62.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 108.301 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.589 ' HE2' HG21 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -119.22 -164.74 1.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 111.009 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 76.1 t -115.86 158.33 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.273 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.566 ' HB2' ' CD1' ' A' ' 78' ' ' TRP . 0.0 OUTLIER -119.05 160.39 22.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 99.0 t . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 179.994 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 48.2 p-10 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.637 ' HB3' HG22 ' A' ' 25' ' ' THR . 2.5 p90 -137.0 159.46 41.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 110.995 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.751 ' CZ3' HD23 ' A' ' 55' ' ' LEU . 27.3 m0 -114.71 165.46 12.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 107.984 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 11.2 ttm -124.16 109.45 13.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.494 ' CB ' ' HB3' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -118.21 150.74 38.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 109.298 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -166.92 140.82 3.15 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.15 0 O-C-N 124.529 1.805 . . . . 0.0 111.013 -179.974 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.499 0.19 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 13.7 tt -67.94 -47.5 78.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 109.332 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.07 -38.4 88.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.937 HD21 HD21 ' A' ' 33' ' ' LEU . 2.6 tp -59.17 -53.35 59.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 1.051 ' O ' HG22 ' A' ' 16' ' ' ILE . 1.1 mp -63.6 -36.15 75.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.3 m -59.15 -50.79 72.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.408 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.731 ' CE ' HD12 ' A' ' 11' ' ' LEU . 6.1 ptt? -69.52 -25.54 64.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.855 ' HB1' HG23 ' A' ' 29' ' ' ILE . . . -71.9 -58.38 3.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 1.051 HG22 ' O ' ' A' ' 12' ' ' ILE . 0.5 OUTLIER -67.9 -25.14 31.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.69 -14.7 6.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.098 . . . . 0.0 110.293 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -53.9 -19.95 5.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.451 ' OG ' ' N ' ' A' ' 20' ' ' ALA . 5.4 p -88.35 -146.12 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.953 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.451 ' N ' ' OG ' ' A' ' 19' ' ' SER . . . -168.84 36.41 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.0 44.84 7.94 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.47 1.106 . . . . 0.0 111.037 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 80' ' ' LEU . . . -147.08 -67.96 0.01 OUTLIER Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.07 144.69 13.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.566 0.803 . . . . 0.0 110.287 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 1.05 ' O ' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -138.18 148.29 44.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.273 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.626 ' N ' HD22 ' A' ' 24' ' ' LEU . 6.6 p -99.32 116.76 32.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.431 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.773 HD22 HD21 ' A' ' 24' ' ' LEU . 1.2 mm? -74.22 -22.89 59.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.24 -52.61 64.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.09 -40.18 71.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.855 HG23 ' HB1' ' A' ' 15' ' ' ALA . 1.2 mp -55.31 -52.34 46.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -70.54 -29.2 65.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -57.67 -49.19 77.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.946 ' CE1' HD12 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -78.72 -29.43 45.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.946 HD12 ' CE1' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -58.11 -52.19 66.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 10.6 ttt -70.74 -25.76 63.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -78.82 -27.82 55.9 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.48 -29.89 16.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 0.794 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.448 ' CE2' ' CD1' ' A' ' 11' ' ' LEU . 9.7 m-85 -133.3 87.07 39.46 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.973 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -55.16 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.55 1.816 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.431 ' CD1' ' N ' ' A' ' 40' ' ' PHE . 18.5 p90 -59.94 -25.89 65.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.601 ' CE1' ' OH ' ' A' ' 44' ' ' TYR . 1.9 t80 -71.61 -16.07 62.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.967 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.564 ' HD2' ' CE3' ' A' ' 47' ' ' TRP . 3.8 ttt180 -98.84 29.56 3.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.324 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -154.1 60.37 0.39 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.2 m -139.34 -66.4 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 0.0 109.995 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.601 ' OH ' ' CE1' ' A' ' 40' ' ' PHE . 6.1 p90 -116.77 146.19 42.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 42.3 m -82.8 48.68 1.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.415 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -150.59 70.53 0.31 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.679 ' O ' HG23 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -101.69 -82.45 0.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.8 ttm-85 -52.07 -26.34 10.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.312 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -73.53 -52.54 13.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.309 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 52.3 p -71.98 -25.8 62.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.021 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.88 HG13 HD11 ' A' ' 12' ' ' ILE . 50.3 t -68.63 -56.68 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.548 ' HG3' ' CH2' ' A' ' 78' ' ' TRP . 1.1 ttt180 -63.82 -33.57 75.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.284 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.801 ' O ' HD12 ' A' ' 57' ' ' LEU . 1.6 m-70 -62.06 -57.44 11.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 109.582 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -66.99 -31.95 72.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.347 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.909 HD13 ' CZ3' ' A' ' 78' ' ' TRP . 4.7 mt -58.74 -55.21 38.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.414 ' O ' ' HA ' ' A' ' 60' ' ' CYS . 0.0 OUTLIER -74.77 -29.49 61.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.008 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.801 HD12 ' O ' ' A' ' 53' ' ' HIS . 5.2 mt -80.89 1.03 32.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.409 ' OD1' ' C ' ' A' ' 58' ' ' ASN . 12.8 t-20 -95.42 -88.98 0.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 0.9 OUTLIER -81.08 -38.15 27.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.5 OUTLIER 88.06 84.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 108.317 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.612 ' CZ ' ' O ' ' A' ' 55' ' ' LEU . 0.7 OUTLIER -127.09 -167.19 1.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.992 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.8 p -117.77 162.87 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.567 ' HG3' ' CD1' ' A' ' 78' ' ' TRP . 1.0 OUTLIER -119.05 146.41 45.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.553 HG12 ' O ' ' A' ' 77' ' ' TYR . 7.6 p . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 14.6 p30 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.553 ' O ' HG12 ' A' ' 64' ' ' VAL . 4.1 p90 -150.43 165.32 33.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.909 ' CZ3' HD13 ' A' ' 55' ' ' LEU . 30.1 m0 -116.83 161.08 19.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 107.998 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.403 ' O ' ' HB2' ' A' ' 61' ' ' PHE . 2.2 ttp -115.95 121.49 42.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 111.055 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.73 HD13 HD11 ' A' ' 16' ' ' ILE . 1.6 pt? -129.5 135.51 48.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -152.25 107.28 2.79 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.153 0 O-C-N 124.448 1.762 . . . . 0.0 111.009 179.998 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.526 ' CE2' ' OH ' ' A' ' 44' ' ' TYR . 16.2 m-85 . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.526 0.203 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.2 pp -50.47 -27.84 4.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.02 -46.98 40.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.765 ' C ' HD12 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -54.8 -36.21 64.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.999 ' O ' HG22 ' A' ' 16' ' ' ILE . 1.0 OUTLIER -72.93 -46.22 52.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.345 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.514 ' O ' ' CG ' ' A' ' 17' ' ' ARG . 15.1 m -55.03 -45.61 75.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 110.418 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.42 ' HG3' ' N ' ' A' ' 15' ' ' ALA . 11.3 ptt? -71.12 -34.24 70.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.166 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.727 ' HB1' ' CG2' ' A' ' 29' ' ' ILE . . . -66.09 -62.3 1.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.999 HG22 ' O ' ' A' ' 12' ' ' ILE . 2.7 tp -60.96 -29.43 45.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.273 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.514 ' CG ' ' O ' ' A' ' 13' ' ' THR . 0.0 OUTLIER -55.84 -19.45 11.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.324 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.537 ' HB3' HD12 ' A' ' 24' ' ' LEU . 30.6 t0 -50.18 -33.48 19.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.247 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 60.1 p -85.14 -143.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.02 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -170.25 33.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.359 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 84.45 44.18 6.64 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.453 1.096 . . . . 0.0 110.981 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 80' ' ' LEU . . . -139.39 -72.84 0.05 OUTLIER Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -162.94 154.41 17.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 0.794 . . . . 0.0 110.294 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.948 HD21 HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -161.27 154.57 21.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 109.331 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.448 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 4.3 p -102.34 97.71 7.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.366 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 1.014 HD11 ' CD1' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -49.75 -33.37 16.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.57 -50.49 69.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.252 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -64.99 -32.99 74.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 0.0 110.29 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.727 ' CG2' ' HB1' ' A' ' 15' ' ' ALA . 1.2 mp -67.8 -35.52 72.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -70.95 -39.07 72.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -69.85 -30.1 67.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.329 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.522 ' CG ' ' N ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -80.64 -54.57 5.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 111.012 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.988 HD13 ' N ' ' A' ' 34' ' ' MET . 0.0 OUTLIER -53.71 -44.94 70.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.142 . . . . 0.0 109.299 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.988 ' N ' HD13 ' A' ' 33' ' ' LEU . 9.3 ttp -69.0 -43.21 75.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -59.76 -27.58 64.36 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.502 1.126 . . . . 0.0 111.0 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.09 -56.5 3.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 0.744 . . . . 0.0 109.328 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.589 ' CD1' HD22 ' A' ' 33' ' ' LEU . 13.5 m-85 -69.76 114.32 23.86 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 111.047 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 -37.73 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.45 1.763 . . . . 0.0 110.978 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -62.9 -30.87 71.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -77.3 -20.69 54.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 111.036 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.2 ttt-85 -90.97 29.19 1.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -121.35 -63.94 0.24 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.473 1.108 . . . . 0.0 111.022 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 45' ' ' THR . 1.3 m -134.65 -64.82 0.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 0.74 . . . . 0.0 109.965 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.526 ' OH ' ' CE2' ' A' ' 8' ' ' TYR . 3.5 t80 -38.38 96.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.428 ' N ' ' O ' ' A' ' 43' ' ' SER . 3.3 m -134.6 -42.81 0.76 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.412 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -74.19 57.07 2.35 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.523 1.14 . . . . 0.0 110.971 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.691 ' CE3' HG21 ' A' ' 51' ' ' VAL . 6.0 p-90 -125.67 4.77 7.48 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.507 ' O ' ' CG ' ' A' ' 52' ' ' ARG . 2.4 ttm180 -60.38 -29.8 69.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.277 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.409 ' O ' ' HG3' ' A' ' 52' ' ' ARG . 11.8 m120 -72.71 -49.28 32.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.7 t -69.43 -38.1 77.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.991 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.775 HG13 HD11 ' A' ' 12' ' ' ILE . 2.9 t -68.88 -61.63 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.507 ' CG ' ' O ' ' A' ' 48' ' ' ARG . 0.3 OUTLIER -52.8 -32.04 41.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.278 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.509 ' O ' ' CB ' ' A' ' 57' ' ' LEU . 2.4 t60 -70.32 -48.36 56.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.609 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -74.31 -9.44 58.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.123 . . . . 0.0 109.277 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 1.014 ' CD1' HD11 ' A' ' 26' ' ' LEU . 0.4 OUTLIER -82.27 -53.83 5.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.565 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -81.37 -13.09 58.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.986 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.509 ' CB ' ' O ' ' A' ' 53' ' ' HIS . 2.1 tp -81.13 -29.98 34.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -89.51 -77.36 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.648 ' HB3' ' CD2' ' A' ' 61' ' ' PHE . 0.6 OUTLIER -44.96 -42.87 8.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.6 m 68.48 55.97 0.48 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 108.333 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.667 ' HZ ' HD22 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -118.75 -165.94 1.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 111.022 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 50.1 t -119.33 158.55 20.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 78' ' ' TRP . 2.8 ptpt -130.55 173.68 10.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.48 HG22 ' O ' ' A' ' 77' ' ' TYR . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.404 ' O ' ' HA ' ' A' ' 25' ' ' THR . 3.8 t-20 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.48 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.2 OUTLIER -119.16 131.95 55.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 111.032 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.799 ' CD2' HD23 ' A' ' 26' ' ' LEU . 15.2 m0 -116.96 141.65 47.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 107.993 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.628 ' O ' ' HE2' ' A' ' 79' ' ' MET . 0.1 OUTLIER -119.01 108.46 14.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.802 HD22 HD11 ' A' ' 16' ' ' ILE . 0.8 OUTLIER -120.42 154.2 35.48 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.427 ' C ' ' ND2' ' A' ' 81' ' ' ASN . 1.0 OUTLIER -172.68 144.5 1.29 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.414 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.165 0 O-C-N 124.501 1.79 . . . . 0.0 110.951 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.479 ' HA ' HD23 ' A' ' 11' ' ' LEU . 17.3 m-85 . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.532 0.206 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.3 pt -57.62 -37.54 59.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.27 -56.1 12.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.767 HD13 HD23 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -48.19 -38.83 19.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.348 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 1.106 HD11 HG13 ' A' ' 51' ' ' VAL . 16.9 mm -67.8 -47.54 79.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.09 . . . . 0.0 109.327 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.4 m -53.68 -50.69 65.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.357 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.563 ' HE2' ' CE1' ' A' ' 37' ' ' PHE . 2.1 ptt? -74.28 -20.63 60.08 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.451 1.095 . . . . 0.0 111.005 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.537 ' HB2' ' O ' ' A' ' 11' ' ' LEU . . . -69.34 -53.1 21.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.856 HD11 ' CG ' ' A' ' 55' ' ' LEU . 5.7 mm -73.43 -29.46 27.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.157 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.11 -21.68 0.79 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.31 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.403 ' N ' ' C ' ' A' ' 16' ' ' ILE . 10.4 t0 -52.98 -30.5 35.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.1 p -91.87 -146.03 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.001 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -170.08 32.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 80' ' ' LEU . . . 85.47 43.16 6.64 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.568 1.167 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 80' ' ' LEU . . . -140.56 -69.39 0.04 OUTLIER Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.39 159.92 28.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 0.756 . . . . 0.0 110.335 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.649 HD13 ' HA ' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -155.32 157.87 37.85 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.409 ' HA ' ' HA ' ' A' ' 77' ' ' TYR . 0.3 OUTLIER -110.9 98.3 7.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 110.426 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.809 HD11 ' CD2' ' A' ' 55' ' ' LEU . 3.2 mm? -51.54 -30.8 21.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.39 -53.35 53.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -73.27 -38.49 65.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.282 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.648 ' CG1' HD12 ' A' ' 24' ' ' LEU . 1.1 mp -60.49 -39.23 80.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 58.0 m-20 -73.68 -36.65 65.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.142 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -57.88 -42.49 84.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.347 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.715 ' CD1' ' C ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -81.05 -41.77 22.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.959 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.906 ' O ' HD22 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -49.01 -42.7 39.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.574 1.171 . . . . 0.0 109.307 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.866 ' N ' HD13 ' A' ' 33' ' ' LEU . 19.4 ttp -77.32 -46.1 24.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -59.47 -18.57 44.43 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.522 1.139 . . . . 0.0 110.958 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.58 -28.27 13.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 0.764 . . . . 0.0 109.332 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.563 ' CE1' ' HE2' ' A' ' 14' ' ' MET . 3.7 m-85 -105.67 107.95 60.46 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -37.65 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.55 1.816 . . . . 0.0 111.033 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -57.2 -35.16 69.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 110.954 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.755 ' CE2' ' CE2' ' A' ' 47' ' ' TRP . 0.0 OUTLIER -80.42 -23.72 40.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 -89.18 8.39 30.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -139.76 51.45 0.74 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.53 1.144 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 54.8 m -156.45 -82.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 0.734 . . . . 0.0 109.967 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.552 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 2.2 p90 -159.19 119.97 3.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 111.035 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.512 HG22 ' O ' ' A' ' 45' ' ' THR . 19.7 m -86.37 57.91 4.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 110.409 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -137.36 50.12 0.83 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.496 1.122 . . . . 0.0 110.959 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.755 ' CE2' ' CE2' ' A' ' 40' ' ' PHE . 0.6 OUTLIER -125.79 9.42 7.61 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.88 -40.86 85.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -73.14 -50.75 20.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 29.7 t -59.48 -55.0 40.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 110.007 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 1.106 HG13 HD11 ' A' ' 12' ' ' ILE . 51.6 t -54.22 -46.84 68.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.569 ' HG2' ' CH2' ' A' ' 78' ' ' TRP . 50.8 mtt180 -57.43 -42.52 82.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -56.81 -58.2 9.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.613 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.489 ' O ' ' N ' ' A' ' 58' ' ' ASN . 1.8 t-20 -61.2 -37.51 83.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.989 HD12 HD12 ' A' ' 12' ' ' ILE . 0.8 OUTLIER -48.34 -50.28 30.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.576 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 1.1 t -81.37 -28.57 34.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.994 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.9 mp -80.81 3.48 22.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 0.0 109.326 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.489 ' N ' ' O ' ' A' ' 54' ' ' ASN . 29.6 t-20 -106.14 -67.67 0.92 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.572 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -75.6 -48.07 23.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.341 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.475 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.1 OUTLIER 85.72 64.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 108.288 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.599 ' CD2' ' HB3' ' A' ' 80' ' ' LEU . 0.2 OUTLIER -119.33 -163.26 0.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 111.01 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.42 ' O ' ' HB3' ' A' ' 78' ' ' TRP . 98.0 t -115.2 149.86 17.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.605 ' HB2' ' CD1' ' A' ' 78' ' ' TRP . 0.0 OUTLIER -117.6 150.5 38.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.601 HG12 ' O ' ' A' ' 77' ' ' TYR . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.601 ' O ' HG12 ' A' ' 64' ' ' VAL . 2.7 p90 -150.51 160.16 43.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.973 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.715 ' CZ3' HD23 ' A' ' 55' ' ' LEU . 21.4 m0 -115.28 164.65 13.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 107.999 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -119.94 112.05 18.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.599 ' HB3' ' CD2' ' A' ' 61' ' ' PHE . 0.8 OUTLIER -118.67 151.11 38.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.08 . . . . 0.0 109.302 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 13.4 p-10 -156.18 157.48 31.21 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.546 1.814 . . . . 0.0 110.99 -179.985 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.444 ' HH ' ' HZ ' ' A' ' 40' ' ' PHE . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.466 0.174 . . . . 0.0 110.997 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 65.0 mt -61.63 -53.85 42.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.346 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.11 -32.48 71.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.249 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.808 HD21 HD21 ' A' ' 33' ' ' LEU . 0.8 OUTLIER -59.7 -50.67 72.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 109.288 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.821 HD11 HG22 ' A' ' 51' ' ' VAL . 0.6 OUTLIER -62.56 -40.5 88.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.424 ' OG1' ' ND2' ' A' ' 58' ' ' ASN . 51.7 m -56.28 -54.12 49.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.411 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.43 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 6.4 ptt? -65.48 -26.59 68.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 111.019 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.774 ' HB1' HG12 ' A' ' 29' ' ' ILE . . . -66.82 -52.7 40.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.891 ' HB ' HD21 ' A' ' 55' ' ' LEU . 0.7 OUTLIER -76.32 -20.11 15.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 109.307 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.56 -9.97 22.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.59 ' HB3' HD12 ' A' ' 24' ' ' LEU . 2.0 t0 -75.9 -4.86 43.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.743 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 1.1 p -70.05 -50.73 38.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.973 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.743 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 90.34 43.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 54.11 55.17 27.51 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.477 1.111 . . . . 0.0 111.042 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -163.34 -76.96 0.03 OUTLIER Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.437 ' HA ' ' O ' ' A' ' 78' ' ' TRP . 0.0 OUTLIER -162.5 160.66 26.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 0.766 . . . . 0.0 110.318 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.59 HD12 ' HB3' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -160.12 159.69 32.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.271 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.47 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 4.0 p -104.51 105.64 15.83 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.457 1.098 . . . . 0.0 110.427 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.714 HD23 ' CD2' ' A' ' 78' ' ' TRP . 0.6 OUTLIER -46.52 -29.09 1.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.8 -45.44 67.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.98 -27.71 63.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.578 1.174 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.774 HG12 ' HB1' ' A' ' 15' ' ' ALA . 1.1 mt -62.21 -59.06 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.478 ' N ' HG22 ' A' ' 29' ' ' ILE . 70.9 m-20 -66.32 -29.01 69.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.347 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -57.47 -50.15 73.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 110.296 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.621 ' CE1' HD12 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -80.49 -24.34 39.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.948 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.808 HD21 HD21 ' A' ' 11' ' ' LEU . 2.1 tp -64.01 -52.58 58.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.2 mtp -73.99 -30.29 62.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 111.014 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -80.13 -17.42 74.37 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.523 1.14 . . . . 0.0 111.012 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.493 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 5.6 tttp -103.02 -49.59 3.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 0.775 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -98.68 109.29 52.67 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 111.032 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -39.74 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.514 1.797 . . . . 0.0 110.975 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -52.62 -36.19 55.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.76 ' CE2' ' CE2' ' A' ' 47' ' ' TRP . 0.1 OUTLIER -74.08 -36.2 64.28 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.128 . . . . 0.0 111.009 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.4 ttt-85 -80.61 2.18 26.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.277 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -125.52 43.78 1.33 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.526 1.141 . . . . 0.0 110.968 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.4 m -152.14 -75.13 0.14 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.464 0.744 . . . . 0.0 110.011 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.562 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 1.7 p90 -173.12 115.43 0.26 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 111.043 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 74.6 p -86.79 50.75 2.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.407 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -126.72 39.59 1.95 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.493 1.121 . . . . 0.0 110.943 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.76 ' CE2' ' CE2' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -109.82 9.47 24.68 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.06 -24.44 39.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.251 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 44.4 m-20 -77.38 -52.76 8.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 109.361 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 87.0 p -68.7 -35.01 76.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.993 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.821 HG22 HD11 ' A' ' 12' ' ' ILE . 2.4 t -66.1 -54.97 21.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.426 ' CG ' ' CH2' ' A' ' 78' ' ' TRP . 1.5 tmm_? -55.78 -40.26 72.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.228 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.418 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 0.2 OUTLIER -60.63 -55.96 26.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.571 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -65.13 -16.65 63.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 1.008 HD13 ' CZ3' ' A' ' 78' ' ' TRP . 0.5 OUTLIER -71.11 -54.43 11.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.9 t -81.06 -21.85 39.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.969 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.418 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 4.5 tp -80.33 0.8 31.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.424 ' ND2' ' OG1' ' A' ' 13' ' ' THR . 59.5 t-20 -123.73 -54.13 1.75 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.147 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.6 ' HB3' ' CD2' ' A' ' 61' ' ' PHE . 0.3 OUTLIER -80.22 -50.22 10.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 34.0 m 75.56 69.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 108.288 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.86 ' CZ ' HD22 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -127.31 -165.46 1.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.989 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 85.1 t -118.74 152.82 20.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.515 ' HD3' ' CE2' ' A' ' 78' ' ' TRP . 2.6 ttpt -120.58 148.13 44.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.527 ' CG2' ' CD2' ' A' ' 77' ' ' TYR . 16.6 m . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.267 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.7 p30 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.621 ' CD1' ' N ' ' A' ' 77' ' ' TYR . 0.4 OUTLIER -129.31 153.26 48.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 1.008 ' CZ3' HD13 ' A' ' 55' ' ' LEU . 13.8 m0 -113.02 153.7 27.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 107.999 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.2 ptm -119.4 108.16 14.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.985 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.586 ' HB3' ' CD2' ' A' ' 61' ' ' PHE . 0.4 OUTLIER -119.5 136.04 54.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.112 . . . . 0.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -145.63 98.5 4.53 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.173 0 O-C-N 124.478 1.778 . . . . 0.0 110.965 179.983 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.68 ' HA ' HD23 ' A' ' 11' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.499 0.19 . . . . 0.0 110.977 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -48.64 -31.7 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.47 -52.23 19.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 109.35 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.75 ' HG ' HD12 ' A' ' 12' ' ' ILE . 0.4 OUTLIER -55.92 -35.83 67.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.9 HD11 ' CG2' ' A' ' 51' ' ' VAL . 1.1 mp -74.26 -36.88 44.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.5 m -61.47 -46.2 91.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.41 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.444 ' CG ' ' OH ' ' A' ' 32' ' ' TYR . 13.2 ptt? -75.61 -29.66 59.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.127 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.7 ' HB1' HG23 ' A' ' 29' ' ' ILE . . . -69.51 -58.48 3.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.895 HD11 HD21 ' A' ' 55' ' ' LEU . 22.1 mm -63.85 -32.69 58.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.46 -22.13 1.11 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.749 ' HB2' HD11 ' A' ' 29' ' ' ILE . 34.5 t0 -48.58 -30.99 5.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.117 . . . . 0.0 109.26 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 59.5 p -91.77 -144.73 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.968 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -173.05 34.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 80' ' ' LEU . . . 85.7 43.09 6.58 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.506 1.129 . . . . 0.0 110.966 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 80' ' ' LEU . . . -142.72 -69.52 0.03 OUTLIER Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.36 158.7 27.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 0.765 . . . . 0.0 110.297 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.863 HD13 ' HA ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -156.17 164.1 38.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.415 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 6.1 p -114.22 111.68 21.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.393 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.761 HD11 HD22 ' A' ' 55' ' ' LEU . 2.2 mm? -63.36 -26.38 68.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.24 -53.32 54.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.412 ' O ' ' HB3' ' A' ' 32' ' ' TYR . 3.7 tm-20 -66.61 -42.37 86.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.749 HD11 ' HB2' ' A' ' 18' ' ' ASP . 1.1 mp -62.68 -30.94 50.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -67.95 -51.73 44.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 0.0 109.298 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -68.15 -23.58 64.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 110.321 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.504 ' CE2' ' HA ' ' A' ' 15' ' ' ALA . 0.2 OUTLIER -80.8 -39.26 27.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.986 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 1.022 HD13 ' N ' ' A' ' 34' ' ' MET . 0.0 OUTLIER -69.24 -46.63 66.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 1.022 ' N ' HD13 ' A' ' 33' ' ' LEU . 5.7 ttp -74.39 -31.04 62.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.943 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -79.24 3.96 64.62 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.5 mmtp -115.65 -36.87 4.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 0.771 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.406 ' CB ' ' HB2' ' A' ' 40' ' ' PHE . 10.5 m-30 -98.28 110.52 56.66 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.426 ' HA ' ' HG2' ' A' ' 41' ' ' ARG . 18.2 Cg_endo -74.95 -27.27 10.26 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.501 1.79 . . . . 0.0 110.976 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -74.57 -22.29 59.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 111.022 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.406 ' HB2' ' CB ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -80.32 -38.51 30.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 111.032 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.426 ' HG2' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -79.32 3.27 18.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -123.31 19.2 7.69 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.2 m -126.95 -85.87 0.6 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 0.805 . . . . 0.0 110.038 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.567 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 2.0 p90 -159.35 122.38 3.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.585 HG22 ' O ' ' A' ' 45' ' ' THR . 16.2 m -91.13 53.27 2.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 110.447 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -123.04 41.26 1.82 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.504 1.128 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -118.4 7.24 11.89 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.19 -43.32 67.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -79.36 -51.85 8.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.355 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.52 -46.71 66.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.994 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.9 ' CG2' HD11 ' A' ' 12' ' ' ILE . 1.9 p -66.19 -48.79 80.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.474 ' N ' ' CG1' ' A' ' 51' ' ' VAL . 0.2 OUTLIER -49.18 -39.53 29.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.259 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -67.97 -57.07 6.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.628 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.466 ' O ' ' ND2' ' A' ' 58' ' ' ASN . 3.9 m120 -63.3 -14.66 52.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.895 HD21 HD11 ' A' ' 16' ' ' ILE . 0.6 OUTLIER -81.24 -43.28 19.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.579 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 6.7 p -77.72 -29.36 51.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 0.0 109.965 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.0 mt -81.69 -30.28 32.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.466 ' ND2' ' O ' ' A' ' 54' ' ' ASN . 0.5 OUTLIER -60.1 -86.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.604 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 0.2 OUTLIER -56.24 -54.66 42.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.604 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 4.8 t 98.49 56.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 108.306 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.597 ' CD2' ' HB3' ' A' ' 80' ' ' LEU . 0.2 OUTLIER -119.11 -166.45 1.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 79' ' ' MET . 4.0 m -117.03 169.85 7.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.495 ' HA ' ' HA ' ' A' ' 78' ' ' TRP . 17.1 mttt -118.59 163.22 17.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 60.4 t . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.99 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 25.8 t30 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.545 ' CD1' ' N ' ' A' ' 77' ' ' TYR . 1.7 p90 -140.82 157.74 44.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.97 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.814 ' CZ3' HD23 ' A' ' 55' ' ' LEU . 18.6 m0 -114.46 162.83 16.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 108.037 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.469 ' O ' HG22 ' A' ' 62' ' ' VAL . 12.2 ttm -119.63 114.39 22.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 111.03 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.597 ' HB3' ' CD2' ' A' ' 61' ' ' PHE . 1.2 pt? -119.96 157.33 29.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.245 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 11.1 p-10 -168.56 160.46 8.66 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.177 0 O-C-N 124.532 1.806 . . . . 0.0 110.982 -179.984 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.49 0.186 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.428 HD13 ' N ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -68.82 -15.42 19.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.85 -51.93 9.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.753 ' CD1' HD21 ' A' ' 33' ' ' LEU . 1.1 pp -61.95 -37.99 86.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 1.001 ' O ' HG22 ' A' ' 16' ' ' ILE . 0.7 OUTLIER -68.87 -41.38 82.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.725 HG22 ' HD2' ' A' ' 17' ' ' ARG . 9.3 m -62.53 -50.57 70.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.385 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.523 ' CE ' ' OH ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -74.78 -15.17 60.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.65 ' HB2' ' O ' ' A' ' 11' ' ' LEU . . . -80.24 -55.4 4.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 1.001 HG22 ' O ' ' A' ' 12' ' ' ILE . 0.4 OUTLIER -72.29 -23.17 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.725 ' HD2' HG22 ' A' ' 13' ' ' THR . 12.2 mtt-85 -61.05 -10.19 5.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.577 1.173 . . . . 0.0 110.352 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -80.84 6.43 13.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.685 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 3.9 p -83.46 -39.03 21.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.007 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.685 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 82.99 41.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 48.85 45.98 31.79 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.507 1.129 . . . . 0.0 111.022 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 80' ' ' LEU . . . -149.83 -72.11 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.1 ptt180 -161.05 158.88 28.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 0.779 . . . . 0.0 110.314 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.743 HD21 HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -160.18 160.24 32.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.476 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -102.34 101.73 12.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 110.402 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.861 HD21 ' CD2' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -51.64 -35.22 41.23 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.73 -49.18 65.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 109.295 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.431 ' HB2' HG23 ' A' ' 25' ' ' THR . 0.4 OUTLIER -65.67 -30.97 71.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.344 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.733 ' CD1' HD11 ' A' ' 24' ' ' LEU . 1.3 mp -68.28 -39.24 80.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -63.97 -52.68 58.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -29.83 70.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 110.234 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.523 ' OH ' ' CE ' ' A' ' 14' ' ' MET . 1.3 t80 -77.38 -30.61 53.77 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.487 1.117 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.753 HD21 ' CD1' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -73.54 -52.67 12.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.1 ptm -71.51 -21.62 61.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -79.88 -22.06 64.59 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.525 1.14 . . . . 0.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.99 -59.77 1.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.423 0.72 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -70.02 113.11 15.23 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 111.021 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.407 ' HA ' ' HG2' ' A' ' 41' ' ' ARG . 18.4 Cg_endo -75.01 -32.94 4.95 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.454 1.765 . . . . 0.0 111.006 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -65.47 -31.82 73.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 110.971 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.806 ' CD2' ' CZ2' ' A' ' 47' ' ' TRP . 1.5 m-30 -73.8 -38.17 64.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.407 ' HG2' ' HA ' ' A' ' 38' ' ' PRO . 0.3 OUTLIER -89.94 24.79 2.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.329 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -143.34 -45.42 0.05 OUTLIER Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.522 1.139 . . . . 0.0 111.02 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 26.8 m -69.71 -76.63 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 0.798 . . . . 0.0 109.984 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.548 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 2.6 p90 -168.49 125.74 1.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.962 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.447 HG23 ' CZ2' ' A' ' 47' ' ' TRP . 36.0 m -94.83 39.82 1.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 110.403 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -102.74 46.8 1.18 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.475 1.109 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.806 ' CZ2' ' CD2' ' A' ' 40' ' ' PHE . 0.8 OUTLIER -128.91 17.78 6.18 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.0 -47.34 74.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 110.316 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -79.1 -40.75 30.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.18 -50.76 72.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.04 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.768 HG13 HD11 ' A' ' 12' ' ' ILE . 13.0 t -65.98 -47.68 84.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.402 ' HG2' ' CH2' ' A' ' 78' ' ' TRP . 61.0 mtt180 -53.96 -40.4 66.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.324 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -67.63 -58.35 4.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.606 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.405 ' O ' ' OD1' ' A' ' 58' ' ' ASN . 81.0 m-20 -58.14 -20.99 44.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.96 HD12 HG23 ' A' ' 12' ' ' ILE . 0.8 OUTLIER -78.85 -40.01 33.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 109.328 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.576 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -72.19 -45.08 61.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.003 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.7 pp -79.4 0.82 27.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.405 ' OD1' ' O ' ' A' ' 54' ' ' ASN . 0.4 OUTLIER -77.02 -76.0 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.261 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.54 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 0.2 OUTLIER -82.23 -32.56 29.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.461 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.1 OUTLIER 84.65 61.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 108.289 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.787 ' CZ ' HD13 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -119.32 -165.5 1.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.973 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.454 HG12 ' O ' ' A' ' 79' ' ' MET . 3.5 p -117.52 154.48 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.553 ' HB2' ' CD1' ' A' ' 78' ' ' TRP . 0.5 OUTLIER -119.07 157.32 28.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.261 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 58.3 t . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 -179.983 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.526 ' C ' ' HD1' ' A' ' 78' ' ' TRP . 1.9 p90 -141.79 163.25 33.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.902 ' CZ3' HD23 ' A' ' 55' ' ' LEU . 13.4 m0 -114.59 167.8 10.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 0.0 108.0 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.454 ' O ' HG12 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -126.33 109.53 12.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.087 . . . . 0.0 110.996 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.796 HD22 HD11 ' A' ' 16' ' ' ILE . 0.7 OUTLIER -119.26 148.28 43.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 29.6 p30 -153.68 154.35 30.17 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.19 0 O-C-N 124.452 1.764 . . . . 0.0 111.024 -179.996 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 120.474 0.178 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.414 HG23 ' N ' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -56.42 -50.4 72.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.414 ' N ' HG23 ' A' ' 9' ' ' ILE . . . -64.88 -31.47 72.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.587 1.179 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.88 HD11 ' HG ' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -62.75 -42.67 99.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.818 HD13 HD23 ' A' ' 11' ' ' LEU . 4.4 mm -68.29 -64.42 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -42.16 -36.62 1.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.384 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 40.7 ttp -74.91 -36.83 62.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 111.04 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' A' ' 12' ' ' ILE . . . -69.13 -37.63 78.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.108 . . . . 0.0 109.277 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.677 HD11 ' CG ' ' A' ' 55' ' ' LEU . 10.3 mm -78.16 -28.26 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.49 -16.34 3.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 110.286 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -72.76 -26.55 61.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.252 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.928 ' CB ' HD21 ' A' ' 80' ' ' LEU . 0.7 OUTLIER -69.28 -58.37 4.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.016 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.768 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 91.87 45.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 50.6 57.23 10.94 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.553 1.158 . . . . 0.0 110.985 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 80' ' ' LEU . . . -158.02 -74.07 0.02 OUTLIER Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.1 ppt_? -161.21 156.25 23.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 0.754 . . . . 0.0 110.278 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.588 HD21 HG23 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -160.92 170.52 20.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.45 ' HA ' ' HA ' ' A' ' 77' ' ' TYR . 7.5 p -113.59 114.1 26.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.511 1.132 . . . . 0.0 110.373 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.888 HD11 HD22 ' A' ' 55' ' ' LEU . 3.3 mm? -62.65 -28.15 69.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.24 -51.32 68.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -74.2 -36.61 64.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.247 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.582 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 0.6 OUTLIER -56.41 -52.85 47.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.469 ' N ' HG22 ' A' ' 29' ' ' ILE . 62.0 t-20 -70.52 -31.4 68.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -54.69 -45.55 73.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.289 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.734 ' CE1' HD12 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -80.08 -34.1 38.31 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 111.024 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.88 ' HG ' HD11 ' A' ' 11' ' ' LEU . 1.9 tp -52.51 -48.36 66.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -80.59 -33.35 36.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -76.61 -0.99 69.68 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.512 1.132 . . . . 0.0 110.977 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.5 tttt -113.66 -51.1 2.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 0.75 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.801 ' CE1' HD12 ' A' ' 11' ' ' LEU . 38.5 m-85 -83.64 115.76 61.16 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 110.991 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -36.8 2.33 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.476 1.777 . . . . 0.0 110.98 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -62.16 -32.2 72.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 110.997 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 1.8 m-30 -70.91 -45.42 64.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.1 ptt85 -83.35 7.8 15.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.319 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -113.21 -48.97 0.58 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.5 1.125 . . . . 0.0 110.968 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.2 m -70.04 -76.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 0.738 . . . . 0.0 110.002 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.542 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 2.0 p90 -156.88 122.96 4.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.978 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.0 t -89.39 37.95 0.88 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.388 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -114.54 57.7 0.46 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.474 1.109 . . . . 0.0 111.044 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.413 ' O ' HG12 ' A' ' 51' ' ' VAL . 1.2 p-90 -131.25 21.63 4.82 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.8 ttp180 -63.55 -47.28 82.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 56.2 m-20 -74.95 -34.72 62.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.1 t -69.02 -53.63 19.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.163 . . . . 0.0 109.996 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.64 HG23 HD11 ' A' ' 12' ' ' ILE . 4.6 p -57.08 -51.0 74.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.484 ' N ' HG13 ' A' ' 51' ' ' VAL . 0.7 OUTLIER -56.88 -39.62 74.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.27 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.476 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 37.2 t60 -56.54 -57.36 12.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.557 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.5 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 2.5 m-20 -65.19 -28.42 69.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.261 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.888 HD22 HD11 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -55.34 -54.13 47.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.544 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.3 OUTLIER -81.22 -29.05 34.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.992 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.476 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 1.4 tp -80.12 0.73 30.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 9.5 t30 -103.44 -81.44 0.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.609 ' HB3' ' CD2' ' A' ' 61' ' ' PHE . 1.1 t70 -62.83 -53.6 51.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.562 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 4.0 t 92.98 66.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 108.278 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.609 ' CD2' ' HB3' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -119.5 -164.58 1.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.987 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 70.0 t -115.52 153.68 17.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.171 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.608 ' HB3' ' CD1' ' A' ' 78' ' ' TRP . 0.0 OUTLIER -119.22 154.27 33.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.587 ' O ' HG12 ' A' ' 64' ' ' VAL . 13.1 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 109.297 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.452 ' CE1' HG11 ' A' ' 64' ' ' VAL . 1.3 p90 -126.42 160.39 30.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 111.026 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.645 ' CG ' HD23 ' A' ' 26' ' ' LEU . 28.0 m0 -115.18 158.58 22.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 107.991 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -119.91 113.78 21.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 111.027 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.928 HD21 ' CB ' ' A' ' 19' ' ' SER . 1.1 pt? -118.31 159.17 23.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -175.38 133.12 0.46 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.135 0 O-C-N 124.551 1.816 . . . . 0.0 110.983 -179.978 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.464 ' HA ' ' CD2' ' A' ' 11' ' ' LEU . 20.9 m-30 . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.461 0.172 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.1 tt -68.73 -37.14 77.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.341 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.54 -56.93 4.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.325 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 1.02 HD13 HD21 ' A' ' 33' ' ' LEU . 0.7 OUTLIER -50.11 -38.49 38.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.865 HD12 HD12 ' A' ' 55' ' ' LEU . 4.0 mm -65.58 -49.93 74.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.1 m -47.29 -46.75 25.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.391 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.445 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 3.3 ptt? -77.41 -22.94 50.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.993 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.98 -46.56 77.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.719 HD11 ' CD1' ' A' ' 55' ' ' LEU . 2.7 mm -80.38 -32.13 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.63 -23.28 0.64 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.333 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.4 ' N ' ' C ' ' A' ' 16' ' ' ILE . 63.4 t0 -49.68 -38.05 31.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.34 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.2 -145.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.045 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -166.53 30.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 84.43 40.51 8.37 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 80' ' ' LEU . . . -136.11 -71.08 0.06 OUTLIER Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.044 -0.823 . . . . 0.0 111.044 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.02 160.98 31.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 0.76 . . . . 0.0 110.335 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.81 HD12 ' CD1' ' A' ' 29' ' ' ILE . 0.1 OUTLIER -150.11 160.72 43.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.529 HG22 ' HB3' ' A' ' 77' ' ' TYR . 60.3 p -113.34 111.48 22.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.396 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.819 HD11 HD22 ' A' ' 55' ' ' LEU . 4.6 mm? -60.91 -28.48 68.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.72 -53.41 51.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -71.69 -35.39 70.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.282 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.81 ' CD1' HD12 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -59.7 -50.54 79.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.528 ' OD1' ' CZ3' ' A' ' 47' ' ' TRP . 1.3 t30 -68.53 -32.0 71.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -56.14 -49.57 73.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.594 ' CD1' ' C ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -72.93 -34.75 66.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 0.0 110.996 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 1.02 HD21 HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -55.08 -52.06 64.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.1 ttp -73.1 -38.09 66.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.42 -14.81 69.71 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.527 1.142 . . . . 0.0 110.961 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 44.8 tttp -96.83 -56.52 2.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 0.753 . . . . 0.0 109.339 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -71.32 114.36 27.09 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -16.79 19.97 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.558 1.82 . . . . 0.0 111.03 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -89.66 -23.13 21.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.983 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 4.6 m-30 -84.54 -18.63 35.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -88.82 20.75 3.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 110.297 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -115.46 -66.89 0.42 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 45' ' ' THR . 5.4 m -125.99 -56.52 1.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 0.739 . . . . 0.0 109.977 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.51 ' O ' ' NE1' ' A' ' 47' ' ' TRP . 0.3 OUTLIER -59.88 81.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.449 ' N ' ' O ' ' A' ' 43' ' ' SER . 21.2 m -131.15 4.11 4.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.415 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -118.08 42.54 1.8 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.448 1.093 . . . . 0.0 110.987 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.846 ' CE3' HG21 ' A' ' 51' ' ' VAL . 1.7 p-90 -103.72 7.57 37.28 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -55.8 -22.22 23.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.263 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -77.12 -50.75 12.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 68.4 m -73.06 -34.01 66.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.99 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.846 HG21 ' CE3' ' A' ' 47' ' ' TRP . 2.0 t -65.89 -54.82 23.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 55.2 mtm180 -59.13 -42.93 91.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.332 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.49 ' O ' ' CB ' ' A' ' 57' ' ' LEU . 0.2 OUTLIER -55.34 -51.14 67.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.585 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.573 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 2.2 t30 -70.25 -29.36 66.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.865 HD12 HD12 ' A' ' 12' ' ' ILE . 0.3 OUTLIER -54.37 -55.99 23.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.571 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 1.5 t -82.1 -28.32 32.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.965 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.49 ' CB ' ' O ' ' A' ' 53' ' ' HIS . 1.9 tp -80.21 1.7 27.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.573 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 6.4 t-20 -108.6 -79.31 0.58 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.125 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.66 ' HB3' ' CD2' ' A' ' 61' ' ' PHE . 4.0 t70 -61.22 -51.54 68.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.522 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 7.0 m 89.12 66.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 108.28 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.66 ' CD2' ' HB3' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -122.59 -164.56 1.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.96 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.431 ' O ' ' HB3' ' A' ' 78' ' ' TRP . 11.7 t -115.24 149.91 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.614 ' HB2' ' CD1' ' A' ' 78' ' ' TRP . 0.0 OUTLIER -116.59 150.38 38.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.313 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.261 179.986 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.544 ' CD1' ' N ' ' A' ' 77' ' ' TYR . 2.0 p90 -137.81 157.31 46.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.683 ' CZ3' HD22 ' A' ' 55' ' ' LEU . 27.2 m0 -114.73 163.55 15.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 108.005 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.22 111.94 18.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 111.022 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.712 ' CD2' HD22 ' A' ' 24' ' ' LEU . 0.6 OUTLIER -119.43 145.12 46.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 -155.1 157.96 31.95 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.461 1.769 . . . . 0.0 111.029 179.99 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.435 ' OH ' HG23 ' A' ' 51' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.526 0.203 . . . . 0.0 110.994 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.561 ' H ' HD13 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -64.9 -36.35 77.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.79 -43.75 35.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 1.021 HD21 HD21 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -58.11 -39.25 78.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.916 ' O ' HG22 ' A' ' 16' ' ' ILE . 0.4 OUTLIER -69.32 -60.21 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.339 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.611 ' N ' HG22 ' A' ' 12' ' ' ILE . 3.6 m -48.2 -33.47 8.57 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.462 1.101 . . . . 0.0 110.409 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.475 ' CE ' ' OH ' ' A' ' 32' ' ' TYR . 34.4 ttp -74.35 -42.49 59.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 111.017 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.757 ' HB1' HG23 ' A' ' 29' ' ' ILE . . . -65.56 -51.55 58.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.916 HG22 ' O ' ' A' ' 12' ' ' ILE . 0.4 OUTLIER -66.46 -31.36 53.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.457 ' CG ' ' O ' ' A' ' 13' ' ' THR . 0.0 OUTLIER -53.23 -17.7 1.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.25 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -45.76 -25.81 0.56 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.484 ' HB3' ' CB ' ' A' ' 24' ' ' LEU . 5.1 p -86.52 -145.77 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.024 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.454 ' N ' ' OG ' ' A' ' 19' ' ' SER . . . -171.61 33.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 86.15 44.51 5.93 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.468 1.105 . . . . 0.0 111.023 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 80' ' ' LEU . . . -148.41 -66.98 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.2 ptt85 -161.28 141.08 10.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.608 0.828 . . . . 0.0 110.314 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.954 ' O ' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -135.75 142.55 45.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.811 ' N ' HD22 ' A' ' 24' ' ' LEU . 76.0 p -92.24 114.95 27.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.392 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.789 HD23 ' CD2' ' A' ' 78' ' ' TRP . 0.2 OUTLIER -74.61 -25.92 59.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.94 -48.24 77.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.67 -35.17 72.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.328 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.757 HG23 ' HB1' ' A' ' 15' ' ' ALA . 1.3 mp -61.32 -60.97 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.548 ' N ' HG22 ' A' ' 29' ' ' ILE . 8.9 m120 -61.9 -30.05 70.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -56.96 -51.6 68.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.59 ' CD1' ' C ' ' A' ' 32' ' ' TYR . 0.2 OUTLIER -80.84 -17.32 51.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 111.044 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 1.021 HD21 HD21 ' A' ' 11' ' ' LEU . 2.6 tp -71.37 -49.48 41.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 5.6 ptt? -71.08 -22.75 62.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 110.967 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.59 -43.94 42.17 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.52 1.137 . . . . 0.0 110.993 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.9 mtmt -74.43 -40.25 62.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 0.749 . . . . 0.0 109.238 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.546 ' CE2' ' CD1' ' A' ' 11' ' ' LEU . 4.9 m-85 -121.33 75.85 32.74 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 111.012 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -19.16 18.17 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.48 1.779 . . . . 0.0 110.993 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -90.91 -20.71 21.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 111.021 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.579 ' CE1' ' OH ' ' A' ' 44' ' ' TYR . 4.6 t80 -86.01 -15.29 41.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.515 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 0.0 OUTLIER -98.21 26.8 5.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.315 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -150.79 58.0 0.44 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.469 1.106 . . . . 0.0 110.996 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.66 -71.02 0.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 109.982 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.579 ' OH ' ' CE1' ' A' ' 40' ' ' PHE . 7.5 p90 -110.13 143.08 40.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.158 . . . . 0.0 111.025 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.493 HG22 ' O ' ' A' ' 45' ' ' THR . 30.5 m -77.61 53.87 1.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.45 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -156.55 72.53 0.24 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.515 ' CE2' ' HA ' ' A' ' 41' ' ' ARG . 0.2 OUTLIER -106.65 -75.11 0.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.421 ' O ' ' CB ' ' A' ' 52' ' ' ARG . 11.7 mtm180 -58.48 -29.39 66.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.12 . . . . 0.0 110.289 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -71.27 -54.46 10.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 73.2 m -67.3 -45.36 76.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.988 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.862 HG22 HD11 ' A' ' 12' ' ' ILE . 15.8 t -58.18 -52.21 61.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.421 ' CB ' ' O ' ' A' ' 48' ' ' ARG . 2.3 tmt_? -61.05 -32.2 71.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.304 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.409 ' O ' ' HB3' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -62.82 -56.2 19.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.545 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.569 ' HA ' HD23 ' A' ' 57' ' ' LEU . 1.5 m-80 -67.03 -33.54 75.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.687 ' O ' ' CZ ' ' A' ' 61' ' ' PHE . 3.6 mt -59.42 -46.4 88.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.555 1.159 . . . . 0.0 109.316 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.409 ' O ' ' HA ' ' A' ' 60' ' ' CYS . 10.5 p -76.3 -36.42 58.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.021 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.909 ' O ' HD12 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -81.3 1.98 30.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.444 ' HB3' ' O ' ' A' ' 55' ' ' LEU . 12.2 t-20 -85.34 -94.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.439 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 1.2 m-20 -81.92 -31.74 31.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 0.0 109.342 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.439 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 10.0 m 82.97 86.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 108.303 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.687 ' CZ ' ' O ' ' A' ' 55' ' ' LEU . 0.5 OUTLIER -128.91 -165.52 1.52 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 60.1 t -116.94 155.25 18.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.576 ' HG3' ' CD1' ' A' ' 78' ' ' TRP . 8.7 ttmt -119.64 142.91 48.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.706 HG12 ' O ' ' A' ' 77' ' ' TYR . 9.8 p . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.446 ' N ' ' OD1' ' A' ' 76' ' ' ASN . 5.3 p-10 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.706 ' O ' HG12 ' A' ' 64' ' ' VAL . 0.6 OUTLIER -134.7 160.04 39.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.958 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.789 ' CD2' HD23 ' A' ' 26' ' ' LEU . 8.8 m0 -113.8 160.17 19.0 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.0 ttm -118.92 109.42 15.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 111.017 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.629 ' CD2' HD12 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -119.3 137.86 53.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -148.17 157.09 43.19 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.173 0 O-C-N 124.462 1.769 . . . . 0.0 110.993 -179.983 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.458 ' HA ' HD23 ' A' ' 11' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.458 0.17 . . . . 0.0 111.006 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.7 tp -53.49 -34.1 22.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.43 -46.15 56.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.792 HD13 HD11 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -54.83 -37.36 66.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.997 HD11 HG22 ' A' ' 51' ' ' VAL . 45.3 mm -68.42 -57.74 8.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 50.9 m -42.87 -42.63 3.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.404 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.522 ' CE ' ' OH ' ' A' ' 32' ' ' TYR . 9.5 ptt? -80.5 -24.1 39.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 12' ' ' ILE . . . -73.29 -51.29 18.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.873 HG23 ' HG ' ' A' ' 24' ' ' LEU . 1.6 mm -72.92 -34.11 45.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.417 ' HB2' ' HA ' ' A' ' 14' ' ' MET . 0.0 OUTLIER -46.17 -23.39 0.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 110.277 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.422 ' N ' ' C ' ' A' ' 16' ' ' ILE . 5.4 t70 -60.23 -31.04 69.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.726 ' CB ' HD21 ' A' ' 80' ' ' LEU . 1.4 p -68.79 -68.09 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.997 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.723 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 86.35 49.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 61.96 59.78 9.08 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.514 1.134 . . . . 0.0 111.042 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -155.64 -73.99 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.43 ' O ' ' HB2' ' A' ' 19' ' ' SER . 3.1 ptt180 -159.61 132.8 6.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 0.763 . . . . 0.0 110.283 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.873 ' HG ' HG23 ' A' ' 16' ' ' ILE . 2.0 tm? -118.37 130.04 55.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.573 ' O ' HD13 ' A' ' 29' ' ' ILE . 23.0 p -102.97 121.73 43.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.1 . . . . 0.0 110.378 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.897 HD11 HD22 ' A' ' 55' ' ' LEU . 4.1 mm? -75.59 -21.76 57.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.34 -57.23 7.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.89 -34.45 77.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 110.27 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.573 HD13 ' O ' ' A' ' 25' ' ' THR . 1.3 mp -65.37 -40.56 88.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -61.69 -49.92 74.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.82 -27.36 68.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.356 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.522 ' OH ' ' CE ' ' A' ' 14' ' ' MET . 0.8 OUTLIER -80.23 -26.13 39.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.792 HD11 HD13 ' A' ' 11' ' ' LEU . 0.6 OUTLIER -75.47 -52.58 10.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 109.305 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 74.6 mtm -67.37 -26.03 66.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -79.8 -20.43 68.27 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.538 1.149 . . . . 0.0 110.981 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.504 ' HG3' ' CE1' ' A' ' 32' ' ' TYR . 3.1 mmtm -103.89 -58.85 1.81 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 0.768 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -78.13 113.92 37.71 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.966 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -39.5 1.18 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.492 1.786 . . . . 0.0 110.984 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -61.55 -30.66 70.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -76.45 -29.11 56.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 111.016 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.7 ttt180 -99.39 30.65 3.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.3 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -148.36 -45.96 0.03 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.489 1.118 . . . . 0.0 111.055 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 28.9 m -69.74 -77.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 0.756 . . . . 0.0 109.998 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.532 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 10.4 p90 -159.11 123.82 4.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 41.3 p -89.99 36.82 0.87 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.404 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -110.71 52.8 0.61 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.481 1.113 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.44 ' NE1' ' O ' ' A' ' 44' ' ' TYR . 0.1 OUTLIER -126.9 6.3 6.62 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -55.64 -38.57 69.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.305 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -72.43 -52.27 16.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 66.6 m -59.65 -55.23 36.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.004 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.997 HG22 HD11 ' A' ' 12' ' ' ILE . 0.5 OUTLIER -53.64 -44.46 57.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.421 ' N ' ' CG1' ' A' ' 51' ' ' VAL . 65.1 mtt180 -61.1 -43.82 98.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 0.0 110.338 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 61.1 m170 -55.57 -49.83 71.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.614 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.511 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 1.3 t-20 -69.31 -31.28 69.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.897 HD22 HD11 ' A' ' 26' ' ' LEU . 0.4 OUTLIER -55.58 -52.44 63.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.098 . . . . 0.0 109.266 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.569 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -79.33 -31.94 43.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.944 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 37.2 mt -80.22 1.17 29.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.511 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 7.2 t30 -101.11 -77.47 0.54 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.659 ' HB3' ' CD2' ' A' ' 61' ' ' PHE . 3.7 t70 -67.89 -54.51 18.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.585 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 2.3 t 94.76 71.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 108.343 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.841 ' HE2' HG21 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -125.76 -165.1 1.38 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 110.975 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.449 ' O ' ' HB3' ' A' ' 78' ' ' TRP . 72.2 t -115.48 153.84 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.597 ' HB2' ' CD1' ' A' ' 78' ' ' TRP . 0.2 OUTLIER -116.67 148.84 40.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.896 HG22 ' O ' ' A' ' 77' ' ' TYR . 5.5 m . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.164 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.896 ' O ' HG22 ' A' ' 64' ' ' VAL . 27.5 p90 -143.14 160.83 39.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.973 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.677 ' CZ3' HD22 ' A' ' 55' ' ' LEU . 20.1 m0 -115.25 162.29 17.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 107.984 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.406 ' N ' ' O ' ' A' ' 62' ' ' VAL . 0.2 OUTLIER -117.89 122.0 42.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 111.013 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.803 HD23 ' H ' ' A' ' 80' ' ' LEU . 2.2 pt? -121.99 154.7 36.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -168.01 153.33 6.72 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.15 0 O-C-N 124.495 1.787 . . . . 0.0 110.943 -179.989 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.49 0.186 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 tt -54.98 -46.25 76.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.74 -42.54 97.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.091 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.934 HD11 HD21 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -55.32 -44.04 75.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.996 HD12 HD12 ' A' ' 55' ' ' LEU . 20.1 mm -60.38 -55.41 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.9 m -50.49 -38.34 43.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 110.411 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 56.9 ttp -77.34 -23.64 50.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 111.046 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.431 ' HB2' HD11 ' A' ' 33' ' ' LEU . . . -78.14 -52.26 8.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.249 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.721 ' HA ' HD13 ' A' ' 24' ' ' LEU . 8.3 mm -69.31 -31.34 49.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -46.47 -23.76 0.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.25 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.583 ' HB3' HD11 ' A' ' 29' ' ' ILE . 5.9 t70 -48.38 -30.92 5.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 60.3 p -91.23 -143.95 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.0 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -171.05 33.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.69 43.33 7.33 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.459 1.099 . . . . 0.0 111.035 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.46 ' CA ' ' O ' ' A' ' 80' ' ' LEU . . . -141.4 -68.65 0.03 OUTLIER Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.8 ptt180 -161.08 163.74 31.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 0.749 . . . . 0.0 110.295 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.721 HD13 ' HA ' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -160.45 171.82 18.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.443 ' HA ' ' O ' ' A' ' 76' ' ' ASN . 31.1 p -129.49 118.78 22.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.446 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.591 ' HG ' ' CZ2' ' A' ' 78' ' ' TRP . 4.2 mm? -66.53 -20.85 66.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.03 -51.33 68.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.63 -39.02 46.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.583 HD11 ' HB3' ' A' ' 18' ' ' ASP . 1.1 mp -55.1 -47.64 76.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -73.36 -36.72 66.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -49.84 -46.41 51.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.333 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.869 ' CZ ' HD12 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -80.39 -35.94 34.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 110.979 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.934 HD21 HD11 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -54.49 -44.67 72.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.419 ' HG3' ' N ' ' A' ' 35' ' ' GLY . 5.1 ptp -80.31 -26.23 38.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 111.019 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.419 ' N ' ' HG3' ' A' ' 34' ' ' MET . . . -78.66 -21.68 68.53 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.493 1.12 . . . . 0.0 110.999 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -95.04 -59.56 1.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 0.74 . . . . 0.0 109.258 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.688 ' CE1' HD12 ' A' ' 11' ' ' LEU . 65.0 m-85 -74.25 113.85 27.71 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -38.53 1.53 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.475 1.776 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -61.65 -32.49 72.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -71.81 -39.15 70.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 111.015 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.13 24.48 4.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.338 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -138.25 -48.18 0.07 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.551 1.157 . . . . 0.0 111.009 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.6 m -69.73 -68.48 0.41 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 0.777 . . . . 0.0 109.98 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.611 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 2.2 p90 -163.02 107.5 1.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.425 ' O ' HG23 ' A' ' 45' ' ' THR . 7.8 t -78.67 52.31 1.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.414 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -144.02 79.31 0.25 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.56 1.162 . . . . 0.0 111.043 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.643 ' CE3' HG21 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -139.56 17.74 2.54 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.419 ' O ' ' HG2' ' A' ' 52' ' ' ARG . 53.4 ttm-85 -58.75 -23.62 60.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.304 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -75.8 -51.75 11.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.5 p -71.56 -32.41 68.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 0.0 109.986 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.643 HG21 ' CE3' ' A' ' 47' ' ' TRP . 2.8 t -66.63 -62.22 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.419 ' HG2' ' O ' ' A' ' 48' ' ' ARG . 0.9 OUTLIER -53.27 -37.83 62.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 110.333 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.532 ' O ' ' CB ' ' A' ' 57' ' ' LEU . 0.1 OUTLIER -58.0 -53.37 59.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.6 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.519 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 3.6 t30 -72.83 -23.43 60.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.996 HD12 HD12 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -61.88 -56.74 16.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.58 -36.44 38.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.97 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.532 ' CB ' ' O ' ' A' ' 53' ' ' HIS . 7.3 tt -66.45 -9.18 31.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.519 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 16.0 t30 -103.24 -78.27 0.55 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.649 ' HB3' ' CD2' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -62.08 -56.4 19.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.325 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.509 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 4.0 t 88.81 63.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 108.292 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.649 ' CD2' ' HB3' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -119.39 -167.0 1.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.97 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.443 HG12 ' N ' ' A' ' 63' ' ' LYS . 40.7 t -117.36 163.2 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.443 ' N ' HG12 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -118.66 155.32 31.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 10.1 t . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.249 -179.991 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.443 ' O ' ' HA ' ' A' ' 25' ' ' THR . 9.6 m120 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.521 ' C ' ' HD1' ' A' ' 78' ' ' TRP . 0.6 OUTLIER -118.31 123.45 45.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 111.028 179.92 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.648 ' CZ3' ' CD2' ' A' ' 55' ' ' LEU . 11.3 m0 -115.05 155.51 26.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 108.042 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -125.26 114.8 19.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.148 . . . . 0.0 110.973 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.637 HD22 ' CD2' ' A' ' 24' ' ' LEU . 1.1 pt? -120.34 153.57 36.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.265 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -166.53 154.85 9.53 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.176 0 O-C-N 124.468 1.773 . . . . 0.0 110.95 -179.983 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.51 0.195 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.551 HD12 ' N ' ' A' ' 10' ' ' ALA . 2.6 pp -61.85 -47.25 94.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.551 ' N ' HD12 ' A' ' 9' ' ' ILE . . . -61.93 -41.33 97.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.968 HD21 HD21 ' A' ' 33' ' ' LEU . 0.5 OUTLIER -58.55 -50.33 74.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.338 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.693 ' N ' HD23 ' A' ' 11' ' ' LEU . 0.5 OUTLIER -61.58 -40.8 87.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 35.1 m -52.45 -48.34 65.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.423 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.436 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 7.1 ptt? -77.43 -20.23 54.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.566 ' HB1' HG23 ' A' ' 29' ' ' ILE . . . -74.53 -52.73 11.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 109.332 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.572 HD11 ' CG ' ' A' ' 55' ' ' LEU . 24.3 mm -69.07 -35.69 69.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -46.2 -22.24 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.424 ' N ' ' C ' ' A' ' 16' ' ' ILE . 22.1 t0 -52.87 -38.56 61.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.774 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 1.7 p -70.11 -63.9 0.99 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.045 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.774 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 92.82 38.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 69.36 57.24 7.65 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.532 1.145 . . . . 0.0 110.988 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 80' ' ' LEU . . . -158.02 -74.57 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.422 ' C ' ' HB3' ' A' ' 19' ' ' SER . 0.0 OUTLIER -160.83 130.88 5.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 0.776 . . . . 0.0 110.297 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.716 HD22 HD22 ' A' ' 80' ' ' LEU . 0.1 OUTLIER -119.57 169.65 9.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.431 ' HA ' ' HA ' ' A' ' 77' ' ' TYR . 72.5 p -127.52 92.84 3.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 110.388 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.72 HD11 HD22 ' A' ' 55' ' ' LEU . 4.5 mm? -45.22 -27.64 0.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.85 -49.98 66.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.45 -36.69 65.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 110.302 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.602 ' CD1' HD12 ' A' ' 24' ' ' LEU . 1.4 mp -60.03 -54.25 37.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -68.38 -28.72 67.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 0.0 109.274 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -58.45 -50.32 74.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.641 ' CD1' ' C ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -79.02 -24.96 43.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.968 HD21 HD21 ' A' ' 11' ' ' LEU . 3.2 tp -59.22 -53.01 63.19 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -80.38 -29.4 37.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -79.92 -3.58 89.35 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.493 1.121 . . . . 0.0 110.948 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 10.5 tttp -113.3 -52.39 2.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 0.781 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.517 ' CZ ' HD12 ' A' ' 11' ' ' LEU . 32.5 m-85 -85.42 113.6 51.66 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.413 ' HA ' ' HG2' ' A' ' 41' ' ' ARG . 18.3 Cg_endo -74.97 -31.76 5.99 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.452 1.764 . . . . 0.0 111.066 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -68.06 -31.08 70.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.744 ' CE2' ' CE2' ' A' ' 47' ' ' TRP . 0.1 OUTLIER -70.31 -42.72 71.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 110.968 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.413 ' HG2' ' HA ' ' A' ' 38' ' ' PRO . 0.6 OUTLIER -81.74 5.92 17.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -133.6 45.85 1.09 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.496 1.122 . . . . 0.0 111.012 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 36.2 m -151.18 -72.26 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 0.756 . . . . 0.0 110.002 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.583 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 2.7 p90 -168.58 105.66 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.996 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.609 HG22 ' O ' ' A' ' 45' ' ' THR . 10.8 m -78.16 53.97 1.29 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.399 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -136.61 39.88 1.59 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.504 1.127 . . . . 0.0 111.013 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.744 ' CE2' ' CE2' ' A' ' 40' ' ' PHE . 0.1 OUTLIER -109.49 -3.96 16.63 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 11.8 ttp85 -50.46 -25.77 4.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.243 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.421 ' O ' ' HG2' ' A' ' 52' ' ' ARG . 0.9 OUTLIER -76.6 -49.28 16.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.13 -25.05 60.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 109.992 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.471 ' N ' ' O ' ' A' ' 47' ' ' TRP . 2.9 t -71.63 -58.11 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.421 ' HG2' ' O ' ' A' ' 49' ' ' ASN . 14.7 ptt180 -56.42 -47.34 79.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.574 1.171 . . . . 0.0 110.334 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.428 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 0.6 OUTLIER -54.08 -56.78 14.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.591 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.501 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 7.1 t-20 -62.32 -29.16 70.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.72 HD22 HD11 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -54.91 -54.29 44.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.06 -27.07 33.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.005 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.428 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 1.8 tp -80.94 1.07 32.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 5.5 t30 -112.24 -66.02 1.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.578 ' HB3' ' CD2' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -79.7 -52.93 7.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.256 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.49 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 5.0 m 86.37 72.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 108.317 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.578 ' CD2' ' HB3' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -125.99 -165.7 1.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 110.99 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.418 HG12 ' N ' ' A' ' 63' ' ' LYS . 70.5 t -116.58 160.61 15.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.531 ' HE3' ' CE2' ' A' ' 78' ' ' TRP . 0.0 OUTLIER -118.02 154.08 32.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.434 ' N ' ' HG2' ' A' ' 63' ' ' LYS . 40.7 t . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.568 1.167 . . . . 0.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.407 ' OD1' ' O ' ' A' ' 64' ' ' VAL . 49.7 t30 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.56 ' CD1' ' N ' ' A' ' 77' ' ' TYR . 1.3 p90 -131.56 153.83 49.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.964 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.657 ' CZ3' HD22 ' A' ' 55' ' ' LEU . 26.4 m0 -114.43 160.91 18.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 108.011 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.7 ptm -118.98 112.51 19.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 111.022 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.716 HD22 HD22 ' A' ' 24' ' ' LEU . 0.6 OUTLIER -119.01 153.25 34.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -160.23 155.87 22.25 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 109.332 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.16 0 O-C-N 124.473 1.775 . . . . 0.0 110.979 -179.937 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.824 ' HA ' HD23 ' A' ' 11' ' ' LEU . 4.3 m-85 . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.51 0.195 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 33.7 mt -69.84 -55.27 15.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.03 -45.45 79.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 1.003 HD11 HD21 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -58.54 -43.13 89.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.778 HD11 HG13 ' A' ' 51' ' ' VAL . 0.8 OUTLIER -65.12 -37.97 81.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.0 m -58.38 -50.77 72.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.389 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.417 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 3.5 ptt? -69.59 -26.17 64.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.5 ' HB1' HG23 ' A' ' 29' ' ' ILE . . . -70.22 -50.96 34.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.789 HD11 HD21 ' A' ' 55' ' ' LEU . 11.9 mm -67.55 -30.73 49.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.2 -19.5 2.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.511 ' CB ' HD11 ' A' ' 29' ' ' ILE . 19.7 t70 -48.76 -32.73 9.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.3 p -89.09 -142.05 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.989 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -168.5 33.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 79.59 39.42 18.01 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.517 1.135 . . . . 0.0 110.971 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -135.22 -68.74 0.07 OUTLIER Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.1 ptt-85 -162.22 156.6 21.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 0.78 . . . . 0.0 110.278 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.733 HD23 ' HB2' ' A' ' 78' ' ' TRP . 0.1 OUTLIER -160.97 166.77 27.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.415 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 1.4 p -119.31 113.95 21.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.4 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.947 HD11 HD22 ' A' ' 55' ' ' LEU . 3.7 mm? -60.19 -20.62 59.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.66 -47.48 81.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -73.73 -39.58 64.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.425 1.078 . . . . 0.0 110.257 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.511 HD11 ' CB ' ' A' ' 18' ' ' ASP . 0.6 OUTLIER -57.69 -51.52 69.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.405 ' HA ' ' HB2' ' A' ' 33' ' ' LEU . 62.1 m-20 -69.84 -29.99 67.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -57.52 -48.97 77.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.248 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.638 ' CD1' ' C ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -80.01 -26.42 39.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 111.017 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 1.003 HD21 HD11 ' A' ' 11' ' ' LEU . 3.1 tp -57.41 -48.41 79.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -79.86 -28.74 39.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.952 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -78.18 -6.43 87.63 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.524 1.14 . . . . 0.0 110.961 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? -111.79 -55.69 2.47 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.507 0.769 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 9.8 m-30 -83.42 113.77 48.87 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.995 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -39.86 1.06 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.451 1.764 . . . . 0.0 111.003 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -58.57 -33.62 70.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.798 ' CD2' ' CZ2' ' A' ' 47' ' ' TRP . 0.1 OUTLIER -71.5 -36.19 71.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.97 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.12 12.1 14.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.264 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -140.67 40.45 1.37 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.453 1.096 . . . . 0.0 111.032 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 39.4 m -143.5 -69.55 0.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 0.753 . . . . 0.0 110.023 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.568 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 4.4 p90 -169.93 107.99 0.37 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.6 p -77.01 56.67 1.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 110.404 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -142.49 28.52 2.19 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.525 1.141 . . . . 0.0 110.986 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.798 ' CZ2' ' CD2' ' A' ' 40' ' ' PHE . 0.9 OUTLIER -99.34 -12.53 20.22 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.2 ttt180 -50.13 -22.31 1.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -78.46 -48.52 15.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 109.258 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.76 -32.04 63.62 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.131 . . . . 0.0 109.978 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.778 HG13 HD11 ' A' ' 12' ' ' ILE . 5.2 t -69.32 -56.81 10.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.424 ' CG ' ' N ' ' A' ' 53' ' ' HIS . 5.1 ptt180 -57.8 -40.45 79.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.289 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.471 ' O ' HD13 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -57.8 -55.78 30.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 109.587 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.483 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 2.1 t30 -64.3 -28.76 69.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.972 HD23 ' CZ3' ' A' ' 78' ' ' TRP . 1.0 OUTLIER -56.15 -51.37 68.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.272 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.577 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -80.67 -29.98 36.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.007 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.471 HD13 ' O ' ' A' ' 53' ' ' HIS . 10.7 mp -80.73 0.52 34.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.483 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 8.0 t30 -108.43 -76.16 0.62 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.605 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 1.2 m-20 -58.62 -53.14 61.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.52 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.5 OUTLIER 88.93 59.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 108.338 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.605 ' CE2' ' HB2' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -119.19 -169.52 1.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.977 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.6 p -118.65 140.55 41.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 78' ' ' TRP . 0.1 OUTLIER -119.05 175.14 5.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.628 HG21 ' HB3' ' A' ' 67' ' ' ASP . 0.9 OUTLIER -119.1 136.17 57.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.321 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -77.15 88.0 3.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 40.34 89.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.628 ' HB3' HG21 ' A' ' 64' ' ' VAL . 0.1 OUTLIER -82.32 168.07 26.11 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 72.4 4.65 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.513 1.796 . . . . 0.0 111.037 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 36.0 t -177.59 65.74 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.01 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.94 110.73 20.22 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.274 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.553 ' O ' ' CG ' ' A' ' 72' ' ' TRP . 18.2 Cg_endo -75.02 122.74 7.39 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.498 1.788 . . . . 0.0 110.985 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.553 ' CG ' ' O ' ' A' ' 71' ' ' PRO . 9.3 m95 91.33 -36.89 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 107.964 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 100.53 62.93 0.79 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.7 pttm 177.3 51.2 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 0.731 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.58 171.46 11.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.4 ' O ' ' HB ' ' A' ' 25' ' ' THR . 2.2 m-20 -152.11 143.01 23.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.438 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.1 OUTLIER -119.33 126.88 52.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 111.024 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.972 ' CZ3' HD23 ' A' ' 55' ' ' LEU . 16.1 m0 -116.48 145.1 43.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 108.026 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -120.45 106.05 11.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.681 ' CD2' HD22 ' A' ' 24' ' ' LEU . 0.6 OUTLIER -119.64 152.56 36.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 13.5 p30 -163.41 158.03 17.31 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.186 0 O-C-N 124.471 1.774 . . . . 0.0 111.053 -179.999 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.471 ' HA ' ' CD2' ' A' ' 11' ' ' LEU . 4.6 m-85 . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.568 0.223 . . . . 0.0 111.034 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.42 HG13 ' N ' ' A' ' 10' ' ' ALA . 7.0 pt -65.65 -32.98 60.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.42 ' N ' HG13 ' A' ' 9' ' ' ILE . . . -74.2 -55.98 5.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.826 ' CD1' HD21 ' A' ' 33' ' ' LEU . 1.1 pp -56.35 -28.67 59.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.243 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 1.012 ' CD1' HD12 ' A' ' 55' ' ' LEU . 3.3 mm -72.55 -49.94 38.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.8 m -51.86 -45.88 64.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.412 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.3 ptt? -72.36 -31.05 65.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.964 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.401 ' O ' HD11 ' A' ' 29' ' ' ILE . . . -66.81 -45.24 78.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.331 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.947 HD11 ' CG ' ' A' ' 55' ' ' LEU . 10.4 mm -73.65 -29.79 27.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.87 -17.59 1.47 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.304 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -51.47 -32.29 26.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.2 p -86.23 -144.33 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.95 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -166.07 31.68 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 80' ' ' LEU . . . 82.28 42.45 8.62 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 80' ' ' LEU . . . -141.32 -67.79 0.03 OUTLIER Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -160.75 155.73 24.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 0.764 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.604 HD22 HD22 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -150.27 172.93 14.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.97 HG21 ' O ' ' A' ' 72' ' ' TRP . 37.8 p -124.01 110.75 15.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.413 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.89 HD11 HD22 ' A' ' 55' ' ' LEU . 3.7 mm? -62.68 -25.13 67.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.484 ' HB2' ' HB2' ' A' ' 75' ' ' ASP . . . -62.91 -52.0 64.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -72.97 -34.03 66.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 110.316 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.608 HG21 HD13 ' A' ' 26' ' ' LEU . 0.9 OUTLIER -59.33 -53.91 41.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.501 ' N ' HG22 ' A' ' 29' ' ' ILE . 11.8 t-20 -69.02 -29.54 67.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -57.49 -48.87 78.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.264 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.631 ' CD1' ' C ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -80.29 -25.98 39.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.976 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.826 HD21 ' CD1' ' A' ' 11' ' ' LEU . 3.5 tp -58.45 -50.23 74.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 6.0 ttp -79.98 -20.82 44.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -80.16 -9.53 86.51 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.443 1.09 . . . . 0.0 111.008 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.12 -55.79 2.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 0.742 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.451 ' CE2' HD22 ' A' ' 11' ' ' LEU . 3.3 m-85 -69.88 112.92 13.94 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.406 ' HA ' ' HG2' ' A' ' 41' ' ' ARG . 18.2 Cg_endo -75.03 -34.78 3.54 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.483 1.78 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -64.67 -32.24 73.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 111.012 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.795 ' CD2' ' CZ2' ' A' ' 47' ' ' TRP . 1.3 m-30 -69.31 -43.63 73.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 111.011 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.406 ' HG2' ' HA ' ' A' ' 38' ' ' PRO . 5.3 ptm180 -82.2 6.79 15.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 110.264 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -135.49 24.29 3.37 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.445 1.091 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.7 m -135.47 -79.93 0.43 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 0.763 . . . . 0.0 110.006 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.534 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 1.8 p90 -165.65 119.44 1.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.982 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 38.6 m -86.9 51.19 2.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.422 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -128.02 41.49 1.58 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.536 1.147 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.795 ' CZ2' ' CD2' ' A' ' 40' ' ' PHE . 2.0 p-90 -120.36 3.68 10.79 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.422 ' HG2' ' ND2' ' A' ' 30' ' ' ASN . 55.1 mtp180 -54.72 -29.15 52.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -79.32 -37.41 37.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 28.9 m -75.98 -38.72 57.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.99 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.694 HG22 HD11 ' A' ' 12' ' ' ILE . 0.3 OUTLIER -68.1 -52.28 40.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 109.305 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.54 ' N ' ' CG1' ' A' ' 51' ' ' VAL . 7.0 ptm180 -60.17 -42.82 95.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.324 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.496 ' N ' ' CG ' ' A' ' 52' ' ' ARG . 5.3 m170 -55.28 -56.97 13.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 109.59 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.466 ' O ' ' N ' ' A' ' 58' ' ' ASN . 1.3 m-20 -62.76 -31.71 72.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.265 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 1.012 HD12 ' CD1' ' A' ' 12' ' ' ILE . 0.4 OUTLIER -52.88 -50.1 64.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.553 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -79.83 -30.74 40.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.161 . . . . 0.0 109.988 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -80.13 1.29 28.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.466 ' N ' ' O ' ' A' ' 54' ' ' ASN . 0.9 OUTLIER -99.21 -88.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.548 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 0.2 OUTLIER -57.26 -50.23 73.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.336 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.548 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 4.4 t 92.46 64.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 108.328 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.553 ' CE1' ' HA ' ' A' ' 56' ' ' SER . 0.2 OUTLIER -119.22 -165.33 1.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 110.982 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 93.8 t -116.19 159.15 16.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.595 ' HB2' ' CD1' ' A' ' 78' ' ' TRP . 0.0 OUTLIER -118.63 152.07 36.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 57.7 t -122.52 112.11 32.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 109.31 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.6 pp -103.61 162.31 13.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 49.01 95.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.282 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -104.25 154.15 38.48 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -49.83 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.521 1.801 . . . . 0.0 111.009 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.32 58.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 110.036 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.592 ' O ' ' CE1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -170.45 65.35 0.48 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.128 . . . . 0.0 110.268 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.428 ' C ' ' N ' ' A' ' 73' ' ' GLY . 18.4 Cg_endo -74.98 -13.29 21.49 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.482 1.78 . . . . 0.0 111.044 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.97 ' O ' HG21 ' A' ' 25' ' ' THR . 0.0 OUTLIER 48.63 25.16 0.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 108.025 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.428 ' N ' ' C ' ' A' ' 71' ' ' PRO . . . -171.85 -118.05 0.46 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.499 1.124 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.431 ' HG3' ' HB1' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -161.57 42.45 0.15 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 0.754 . . . . 0.0 109.326 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.484 ' HB2' ' HB2' ' A' ' 27' ' ' ALA . 1.4 t0 -175.61 -68.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.418 ' OD1' ' N ' ' A' ' 76' ' ' ASN . 1.0 OUTLIER -175.43 168.28 3.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.592 ' CE1' ' O ' ' A' ' 70' ' ' ARG . 5.0 p90 -131.78 157.32 44.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 111.041 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.615 ' CZ3' HD23 ' A' ' 55' ' ' LEU . 31.7 m0 -114.6 161.52 17.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 108.002 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 13.8 ttm -119.23 111.32 18.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.981 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.604 HD22 HD22 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -118.79 153.19 34.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -160.6 153.39 17.74 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.51 1.795 . . . . 0.0 111.071 179.951 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.927 ' HA ' HD23 ' A' ' 11' ' ' LEU . 4.1 m-85 . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.508 0.194 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -53.91 -40.72 45.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.52 -50.42 63.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 1.131 HD11 HD21 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -54.97 -36.8 65.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 1.009 HD12 HD12 ' A' ' 55' ' ' LEU . 10.2 mm -67.68 -46.44 82.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.249 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 84.4 m -52.16 -49.09 64.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 110.415 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 3.9 ptt? -73.14 -26.47 61.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.22 -43.08 74.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.344 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.884 HD11 ' CG ' ' A' ' 55' ' ' LEU . 3.9 mm -80.77 -24.07 10.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.8 -15.46 3.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 110.301 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -58.43 -33.94 70.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.102 . . . . 0.0 109.267 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.1 p -82.79 -143.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.027 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -169.32 32.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.079 . . . . 0.0 109.308 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.427 ' CA ' ' HD2' ' A' ' 82' ' ' PRO . . . 80.47 41.69 11.13 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 80' ' ' LEU . . . -139.44 -68.79 0.04 OUTLIER Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.3 ptt180 -161.16 162.41 31.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 0.778 . . . . 0.0 110.314 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.649 HD21 HD22 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -160.15 170.25 21.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.275 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.451 ' HA ' ' HA ' ' A' ' 77' ' ' TYR . 15.7 p -118.38 112.52 20.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.388 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.698 HD11 HD22 ' A' ' 55' ' ' LEU . 3.2 mm? -63.94 -27.3 69.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.55 -53.23 57.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -70.66 -35.04 72.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.276 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.443 HG21 HD13 ' A' ' 26' ' ' LEU . 1.1 mp -57.68 -49.39 80.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.415 ' ND2' ' HD3' ' A' ' 48' ' ' ARG . 0.8 OUTLIER -69.45 -32.38 71.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -56.1 -51.01 69.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 110.257 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.648 ' CD1' ' C ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -75.7 -28.82 58.77 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 110.961 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 1.131 HD21 HD11 ' A' ' 11' ' ' LEU . 2.3 tp -56.95 -48.05 79.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 6.3 mtt -78.2 -28.12 47.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 110.999 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -76.11 -13.76 82.92 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.433 1.083 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.5 mtpt -102.96 -57.6 2.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 0.776 . . . . 0.0 109.299 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -80.11 113.67 40.45 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 111.031 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -39.5 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.495 1.787 . . . . 0.0 110.98 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -59.1 -32.29 69.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.98 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.756 ' CD2' ' CZ2' ' A' ' 47' ' ' TRP . 0.1 OUTLIER -76.29 -28.0 56.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.969 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.64 3.13 38.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.375 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -144.15 54.11 0.58 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.477 1.111 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 73.7 m -150.3 -72.97 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 0.73 . . . . 0.0 109.986 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.552 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 1.9 p90 -174.81 117.65 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 111.034 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.8 t -87.5 52.27 2.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.398 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -126.03 27.03 5.2 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.485 1.115 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.756 ' CZ2' ' CD2' ' A' ' 40' ' ' PHE . 3.4 p-90 -106.66 0.04 24.04 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.415 ' HD3' ' ND2' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -52.22 -30.68 28.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.468 ' H ' ' ND2' ' A' ' 49' ' ' ASN . 1.7 p30 -75.3 -53.68 8.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.52 -40.74 97.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.017 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.672 HG21 ' CE3' ' A' ' 47' ' ' TRP . 2.1 t -60.21 -56.54 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.469 ' HG2' ' CH2' ' A' ' 78' ' ' TRP . 54.3 mtt180 -58.8 -40.37 83.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 110.269 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.607 ' CD2' HD22 ' A' ' 57' ' ' LEU . 17.6 t60 -57.69 -57.42 12.83 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.123 . . . . 0.0 109.576 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.461 ' O ' ' N ' ' A' ' 58' ' ' ASN . 0.7 OUTLIER -62.03 -34.23 75.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 1.009 HD12 HD12 ' A' ' 12' ' ' ILE . 0.4 OUTLIER -52.7 -49.26 65.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.549 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.2 OUTLIER -80.29 -30.07 38.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.991 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.607 HD22 ' CD2' ' A' ' 53' ' ' HIS . 4.4 mp -80.46 1.38 29.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 54' ' ' ASN . 4.7 m-20 -98.39 -89.84 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.56 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 0.2 OUTLIER -56.65 -47.79 78.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.548 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 3.6 t 91.4 63.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 108.269 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -119.73 -165.33 1.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 111.033 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 94.7 t -116.36 153.59 17.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.343 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.589 ' HB2' ' CD1' ' A' ' 78' ' ' TRP . 0.0 OUTLIER -118.28 150.51 39.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.297 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 25.6 t -119.77 92.51 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.417 ' O ' ' NH2' ' A' ' 70' ' ' ARG . 3.6 pp -130.98 32.73 4.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -149.25 84.0 1.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.284 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -167.61 145.08 3.77 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 76.08 3.5 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.482 1.78 . . . . 0.0 110.99 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.4 m 177.5 41.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.975 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.417 ' NH2' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -171.57 68.52 0.46 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 110.321 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.5 ' O ' ' HB2' ' A' ' 72' ' ' TRP . 18.3 Cg_endo -74.99 -173.48 1.58 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.462 1.77 . . . . 0.0 111.012 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.5 ' HB2' ' O ' ' A' ' 71' ' ' PRO . 0.0 OUTLIER 80.63 -38.58 0.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 108.035 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.473 ' H ' ' C ' ' A' ' 71' ' ' PRO . . . 69.43 70.04 1.25 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.9 tmmt? -173.24 -40.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 0.775 . . . . 0.0 109.327 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -90.07 114.39 26.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 -158.27 174.59 14.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.451 ' HA ' ' HA ' ' A' ' 25' ' ' THR . 13.4 p90 -143.79 157.69 44.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.943 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.614 ' CZ3' ' CD2' ' A' ' 55' ' ' LEU . 31.0 m0 -114.75 162.37 16.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 108.006 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -119.53 111.79 18.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 110.978 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.492 ' CB ' ' HB3' ' A' ' 61' ' ' PHE . 0.6 OUTLIER -118.83 156.56 29.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -167.49 75.97 0.97 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.568 1.167 . . . . 0.0 109.284 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.427 ' HD2' ' CA ' ' A' ' 21' ' ' GLY . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.142 0 O-C-N 124.498 1.788 . . . . 0.0 111.018 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.995 ' HA ' HD23 ' A' ' 11' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.508 0.194 . . . . 0.0 111.015 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 24.7 pt -61.44 -36.82 75.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.25 -52.87 23.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 1.035 ' CD1' HD21 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -49.96 -38.57 37.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.258 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.862 ' CD1' HD12 ' A' ' 55' ' ' LEU . 5.6 mm -68.35 -46.34 80.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.266 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 54.1 m -54.7 -49.4 70.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.433 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.1 ptt? -70.98 -25.69 62.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 110.955 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.439 ' O ' ' CG1' ' A' ' 29' ' ' ILE . . . -71.92 -42.16 67.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.904 HD11 HD21 ' A' ' 55' ' ' LEU . 8.2 mm -80.2 -22.58 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.9 ttp180 -59.41 -12.32 5.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.409 ' HB3' HD12 ' A' ' 24' ' ' LEU . 4.6 t70 -77.4 0.23 23.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.767 ' CB ' HD21 ' A' ' 80' ' ' LEU . 0.9 OUTLIER -96.1 -47.98 5.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.093 . . . . 0.0 109.949 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.646 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 82.19 43.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.344 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 54.38 52.08 47.02 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.516 1.135 . . . . 0.0 111.041 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -154.33 -79.06 0.02 OUTLIER Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -163.96 154.56 15.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 0.778 . . . . 0.0 110.267 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.752 HD13 ' HB3' ' A' ' 19' ' ' SER . 0.2 OUTLIER -161.7 170.59 19.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.26 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.418 HG22 ' CE1' ' A' ' 77' ' ' TYR . 3.2 p -104.04 105.45 15.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.098 . . . . 0.0 110.358 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.876 HD23 ' CD2' ' A' ' 78' ' ' TRP . 0.6 OUTLIER -52.69 -31.49 37.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.464 ' CB ' ' HB3' ' A' ' 75' ' ' ASP . . . -56.4 -49.13 75.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.36 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -67.07 -29.17 68.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.465 HG21 HD13 ' A' ' 26' ' ' LEU . 1.1 mp -59.62 -54.63 31.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.463 ' N ' HG22 ' A' ' 29' ' ' ILE . 31.0 m-20 -68.15 -30.4 69.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -56.82 -49.99 73.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.705 ' CE1' HD12 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -78.91 -26.93 43.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 1.035 HD21 ' CD1' ' A' ' 11' ' ' LEU . 2.0 tp -60.7 -47.96 83.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.6 ptt? -74.08 -32.15 63.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -76.46 -8.42 85.82 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.51 1.131 . . . . 0.0 111.036 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.6 mttp -106.98 -54.64 2.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 0.778 . . . . 0.0 109.295 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -75.87 113.6 28.81 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 0.0 111.022 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -39.28 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -65.68 -22.19 66.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.975 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.503 ' CD2' ' CZ2' ' A' ' 47' ' ' TRP . 2.1 m-30 -75.78 -49.61 17.63 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -71.57 -6.16 38.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -102.3 -47.48 1.43 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.572 1.17 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.5 m -69.9 -76.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 0.747 . . . . 0.0 110.005 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.495 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 15.2 p90 -169.17 126.26 0.94 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.574 HG23 ' CH2' ' A' ' 47' ' ' TRP . 48.8 m -94.02 48.67 1.27 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 110.389 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -125.0 47.62 1.01 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.519 1.137 . . . . 0.0 111.026 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.574 ' CH2' HG23 ' A' ' 45' ' ' THR . 0.0 OUTLIER -116.81 14.29 15.2 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.09 -31.33 69.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 110.3 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -71.95 -55.42 7.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 33.9 m -65.46 -33.18 75.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.017 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.535 HG13 HD11 ' A' ' 12' ' ' ILE . 3.0 t -61.92 -57.78 10.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.426 1.079 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.423 ' HG3' ' N ' ' A' ' 53' ' ' HIS . 0.5 OUTLIER -61.33 -29.57 69.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.318 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.666 ' O ' HD13 ' A' ' 57' ' ' LEU . 1.5 t-160 -59.65 -55.97 27.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.62 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 58' ' ' ASN . 6.0 t-20 -73.61 -28.97 62.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.904 HD21 HD11 ' A' ' 16' ' ' ILE . 0.5 OUTLIER -56.35 -52.66 63.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.2 t -74.45 -32.24 62.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.999 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.666 HD13 ' O ' ' A' ' 53' ' ' HIS . 10.9 mp -80.72 1.3 30.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 54' ' ' ASN . 14.3 t30 -93.06 -80.97 0.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.591 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 0.4 OUTLIER -79.52 -50.85 10.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.591 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 3.3 t 95.77 78.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 108.264 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.577 ' CE1' HD23 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -123.96 -166.52 1.5 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.521 HG12 ' O ' ' A' ' 79' ' ' MET . 12.9 p -119.21 155.91 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.471 ' HB2' ' CD2' ' A' ' 78' ' ' TRP . 1.7 tttt -119.42 146.09 45.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.673 HG13 ' O ' ' A' ' 77' ' ' TYR . 0.1 OUTLIER -125.25 109.12 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' A' ' 76' ' ' ASN . 31.2 tp -109.25 33.23 4.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.8 ttt-85 -154.97 75.8 0.97 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.286 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -135.55 132.76 19.88 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 71.58 4.95 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.429 1.752 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.9 t -167.25 41.81 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 110.044 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.468 ' CZ ' ' HB2' ' A' ' 70' ' ' ARG . 0.7 OUTLIER -165.32 67.31 1.2 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.28 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 85.6 1.51 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.495 1.787 . . . . 0.0 111.011 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 1.6 t-105 -178.52 -40.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 107.969 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 70.8 89.28 0.1 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.545 1.153 . . . . 0.0 110.962 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.3 ttmt -173.34 -40.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 0.788 . . . . 0.0 109.321 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.464 ' HB3' ' CB ' ' A' ' 27' ' ' ALA . 0.1 OUTLIER -102.02 165.71 11.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.524 ' OD1' ' CD1' ' A' ' 78' ' ' TRP . 20.2 p30 -141.92 169.97 16.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.673 ' O ' HG13 ' A' ' 64' ' ' VAL . 1.2 m-85 -121.06 146.13 47.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 111.017 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.876 ' CD2' HD23 ' A' ' 26' ' ' LEU . 11.4 m0 -122.2 159.45 27.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 108.056 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.521 ' O ' HG12 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -134.61 108.15 7.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 111.0 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.767 HD21 ' CB ' ' A' ' 19' ' ' SER . 0.7 OUTLIER -118.93 150.22 40.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 109.284 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -160.51 138.12 7.02 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.178 0 O-C-N 124.496 1.787 . . . . 0.0 110.967 -179.975 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.518 0.199 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -60.77 -35.26 63.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.57 -39.74 84.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.283 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.846 HD13 ' CE1' ' A' ' 37' ' ' PHE . 6.9 tp -60.03 -48.94 79.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 1.048 ' O ' HG22 ' A' ' 16' ' ' ILE . 1.0 OUTLIER -66.9 -39.09 82.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.432 ' O ' ' CB ' ' A' ' 17' ' ' ARG . 21.4 m -57.7 -49.36 76.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.391 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.601 ' CE ' HD12 ' A' ' 11' ' ' LEU . 3.8 ptt? -70.05 -28.43 65.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.654 ' HB2' ' OH ' ' A' ' 32' ' ' TYR . . . -69.47 -59.7 2.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 1.048 HG22 ' O ' ' A' ' 12' ' ' ILE . 0.3 OUTLIER -65.59 -29.93 48.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.274 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.436 ' C ' ' N ' ' A' ' 19' ' ' SER . 0.0 OUTLIER -57.05 -14.07 3.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.252 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.458 ' HB2' HD11 ' A' ' 29' ' ' ILE . 11.2 t0 -47.74 -22.96 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.487 ' OG ' ' N ' ' A' ' 20' ' ' ALA . 1.7 p -86.19 -149.71 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.977 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.487 ' N ' ' OG ' ' A' ' 19' ' ' SER . . . -154.45 23.18 0.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.17 41.38 3.04 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.479 1.112 . . . . 0.0 111.043 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -142.39 -76.32 0.04 OUTLIER Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.434 ' CB ' ' HA ' ' A' ' 79' ' ' MET . 0.0 OUTLIER -164.97 163.41 20.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 0.76 . . . . 0.0 110.276 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.593 ' CD1' ' N ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -161.63 164.11 29.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.6 p -94.6 123.85 38.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.45 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.768 HD11 ' CD1' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -76.74 -24.85 53.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.628 ' HB1' ' OD1' ' A' ' 75' ' ' ASP . . . -58.63 -47.97 82.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -72.15 -42.43 65.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.651 HG23 ' HB1' ' A' ' 15' ' ' ALA . 0.7 OUTLIER -53.09 -50.61 44.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.295 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 30.3 m120 -72.03 -30.67 65.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -56.39 -48.51 76.74 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.461 1.101 . . . . 0.0 110.268 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.79 ' CE1' HD12 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -79.67 -30.01 41.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.79 HD12 ' CE1' ' A' ' 32' ' ' TYR . 1.8 tp -54.42 -48.38 71.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.3 ttp -75.93 -31.13 58.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 111.037 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.67 -13.03 78.23 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.528 1.142 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.75 -51.09 3.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.525 0.78 . . . . 0.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.846 ' CE1' HD13 ' A' ' 11' ' ' LEU . 6.0 m-85 -80.85 113.72 42.63 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.945 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -39.97 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.497 1.788 . . . . 0.0 111.029 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -60.8 -31.88 71.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 110.991 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.56 ' CD2' ' CZ2' ' A' ' 47' ' ' TRP . 2.5 m-85 -69.63 -40.29 76.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.986 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -81.05 -11.21 59.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 0.0 110.272 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -100.86 -47.29 1.63 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.438 1.086 . . . . 0.0 111.012 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 52.5 m -69.48 -74.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 0.733 . . . . 0.0 109.993 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.424 ' O ' ' CG ' ' A' ' 44' ' ' TYR . 1.5 p90 -174.67 132.81 0.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 111.015 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.555 HG23 ' CZ2' ' A' ' 47' ' ' TRP . 10.2 m -98.66 47.87 0.98 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.362 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -123.82 57.02 0.67 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.487 1.117 . . . . 0.0 111.02 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.56 ' CZ2' ' CD2' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -126.91 12.36 7.25 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.058 -1.089 . . . . 0.0 108.058 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.0 mtm180 -61.16 -23.73 65.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.294 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -74.93 -52.69 10.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.279 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.68 -38.4 73.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.025 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.824 HG13 HD11 ' A' ' 12' ' ' ILE . 4.8 t -62.3 -57.21 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.582 ' HG3' ' CH2' ' A' ' 78' ' ' TRP . 41.7 ttt180 -54.89 -44.64 74.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.347 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.479 ' CD2' HD13 ' A' ' 57' ' ' LEU . 4.0 t-160 -56.39 -57.79 10.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.1 . . . . 0.0 109.615 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.37 -26.98 68.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.914 HD13 ' CZ3' ' A' ' 78' ' ' TRP . 0.3 OUTLIER -58.88 -52.67 64.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 t -81.8 -23.79 36.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.978 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.479 HD13 ' CD2' ' A' ' 53' ' ' HIS . 0.5 OUTLIER -78.99 1.06 25.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -119.46 -51.81 2.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.579 ' HB2' ' CD2' ' A' ' 61' ' ' PHE . 1.0 OUTLIER -80.91 -58.68 2.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.527 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.8 OUTLIER 90.4 69.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 108.326 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.741 ' HZ ' HD22 ' A' ' 55' ' ' LEU . 5.6 p90 -133.73 -163.36 1.35 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 110.999 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 49.0 t -119.69 156.87 22.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.613 ' HB2' ' CD1' ' A' ' 78' ' ' TRP . 0.0 OUTLIER -119.01 151.11 38.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.509 ' CG2' ' O ' ' A' ' 77' ' ' TYR . 19.2 m -130.03 65.86 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.97 153.0 36.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.138 . . . . 0.0 109.344 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 40.74 71.14 0.21 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.296 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.466 ' OD1' ' N ' ' A' ' 68' ' ' PRO . 2.8 t0 -119.53 145.18 38.36 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.466 ' N ' ' OD1' ' A' ' 67' ' ' ASP . 18.3 Cg_endo -74.99 65.78 6.04 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.491 1.785 . . . . 0.0 110.985 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.444 ' CB ' ' OH ' ' A' ' 77' ' ' TYR . 0.2 OUTLIER -127.73 -43.98 1.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.969 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.437 ' N ' ' HD3' ' A' ' 71' ' ' PRO . 7.7 mtt180 -133.95 62.63 58.6 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 110.344 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.437 ' HD3' ' N ' ' A' ' 70' ' ' ARG . 18.3 Cg_endo -74.98 56.98 4.41 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.474 1.776 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 51.9 m95 -114.25 -41.7 3.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 107.993 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -116.06 -141.36 7.21 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.529 1.143 . . . . 0.0 110.997 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.2 19.72 2.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 0.781 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.628 ' OD1' ' HB1' ' A' ' 27' ' ' ALA . 68.3 m-20 -89.12 178.59 6.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -159.78 169.29 23.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.265 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.553 ' CD1' ' N ' ' A' ' 77' ' ' TYR . 1.6 p90 -139.5 162.36 35.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 111.044 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.914 ' CZ3' HD13 ' A' ' 55' ' ' LEU . 16.9 m0 -118.33 161.22 20.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 107.998 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.434 ' HA ' ' CB ' ' A' ' 23' ' ' ARG . 2.2 ptm -119.29 113.6 21.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.738 HD23 ' H ' ' A' ' 80' ' ' LEU . 2.5 pt? -121.05 141.04 51.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 23.1 p-10 -146.41 144.28 20.7 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.168 0 O-C-N 124.504 1.792 . . . . 0.0 111.005 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 N--CA 1.452 -0.355 0 CA-C-O 120.523 0.202 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.417 HG13 ' N ' ' A' ' 10' ' ' ALA . 46.0 pt -65.07 -42.86 95.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.417 ' N ' HG13 ' A' ' 9' ' ' ILE . . . -59.7 -49.52 77.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.853 HD21 HD21 ' A' ' 33' ' ' LEU . 0.5 OUTLIER -56.24 -44.1 79.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.253 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.764 HD12 HD23 ' A' ' 11' ' ' LEU . 1.1 mp -63.13 -40.81 90.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.426 HG22 ' HD2' ' A' ' 17' ' ' ARG . 4.4 m -57.45 -55.81 30.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.404 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.415 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 3.1 ptt? -62.67 -26.27 68.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.565 ' HB1' HG23 ' A' ' 29' ' ' ILE . . . -73.25 -48.98 30.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.356 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.773 HD11 HD22 ' A' ' 80' ' ' LEU . 0.4 OUTLIER -74.34 -19.04 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.426 ' HD2' HG22 ' A' ' 13' ' ' THR . 2.2 mtt180 -72.42 -2.51 19.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 110.324 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.464 ' HB3' HD12 ' A' ' 24' ' ' LEU . 2.0 t70 -65.03 -11.33 37.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.405 ' OG ' ' N ' ' A' ' 20' ' ' ALA . 9.1 p -95.04 -146.12 0.27 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.029 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.405 ' N ' ' OG ' ' A' ' 19' ' ' SER . . . -155.96 25.6 0.37 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 80' ' ' LEU . . . 82.28 39.99 10.63 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.564 1.165 . . . . 0.0 111.032 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 80' ' ' LEU . . . -138.02 -68.98 0.05 OUTLIER Glycine 0 CA--C 1.531 1.048 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.0 ptt180 -161.43 150.89 16.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 0.787 . . . . 0.0 110.325 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.868 HD21 HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -161.06 153.89 20.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.351 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -99.94 116.16 31.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.44 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.96 HD11 HD12 ' A' ' 55' ' ' LEU . 1.3 mm? -63.67 -25.94 68.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.432 ' HB2' ' HA ' ' A' ' 75' ' ' ASP . . . -55.54 -48.95 73.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -67.66 -34.9 77.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.565 HG23 ' HB1' ' A' ' 15' ' ' ALA . 1.2 mp -60.05 -57.32 12.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.499 ' N ' HG22 ' A' ' 29' ' ' ILE . 74.3 m-20 -62.99 -29.63 70.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -58.21 -51.61 69.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 110.325 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.613 ' CD1' ' C ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -79.15 -25.31 42.87 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.107 . . . . 0.0 110.995 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.853 HD21 HD21 ' A' ' 11' ' ' LEU . 2.6 tp -58.88 -49.42 77.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 0.0 109.307 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 5.9 mtp -79.05 -19.78 50.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 111.019 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -80.14 -38.75 17.77 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.516 1.135 . . . . 0.0 110.936 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -82.36 -37.05 26.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 0.766 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.786 ' CZ ' HD12 ' A' ' 11' ' ' LEU . 5.8 m-85 -108.87 107.26 59.91 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -29.64 8.03 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.507 1.793 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -54.4 -39.55 67.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 111.044 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -77.19 -36.07 55.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 110.982 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -80.98 4.67 18.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -118.27 -40.42 0.68 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.589 1.181 . . . . 0.0 110.963 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.9 m -69.81 -75.73 0.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 0.756 . . . . 0.0 110.005 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.557 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 1.8 p90 -170.1 123.37 0.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 111.012 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 71.7 p -91.23 33.14 0.98 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 110.366 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -100.37 42.43 1.96 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.469 1.106 . . . . 0.0 110.955 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.406 ' CD1' ' O ' ' A' ' 44' ' ' TYR . 2.3 p-90 -124.16 3.72 8.57 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 15.1 ttm180 -50.17 -36.44 30.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.439 ' H ' ' ND2' ' A' ' 49' ' ' ASN . 2.9 p30 -80.14 -51.0 9.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 82.3 p -53.89 -44.8 70.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.989 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.544 ' CG2' HD11 ' A' ' 12' ' ' ILE . 0.9 OUTLIER -68.94 -55.29 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.528 ' HG3' ' CZ2' ' A' ' 78' ' ' TRP . 10.3 ttm105 -48.03 -29.79 3.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.314 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -76.09 -52.65 9.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.616 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.416 ' O ' ' HB2' ' A' ' 58' ' ' ASN . 0.7 OUTLIER -66.3 -17.63 64.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.123 . . . . 0.0 109.264 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.96 HD12 HD11 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -80.17 -48.63 12.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.42 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -64.99 -42.47 94.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.996 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.948 ' O ' HD12 ' A' ' 57' ' ' LEU . 0.4 OUTLIER -80.78 1.44 30.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.416 ' HB2' ' O ' ' A' ' 54' ' ' ASN . 0.5 OUTLIER -80.62 -72.55 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.506 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 1.6 m-20 -80.89 -36.63 30.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.5 OUTLIER 88.2 57.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 108.325 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.597 ' CE1' ' CE3' ' A' ' 78' ' ' TRP . 1.0 OUTLIER -119.23 -167.71 1.45 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.5 ' CG1' ' SD ' ' A' ' 79' ' ' MET . 5.3 p -119.17 146.21 24.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.468 ' HA ' ' HA ' ' A' ' 78' ' ' TRP . 0.0 OUTLIER -118.96 163.06 17.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.337 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.591 HG22 ' O ' ' A' ' 64' ' ' VAL . 0.1 OUTLIER -139.56 94.63 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.41 ' HA ' ' CB ' ' A' ' 76' ' ' ASN . 0.8 OUTLIER -87.55 116.39 25.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.335 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 61.18 107.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.31 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.523 ' CB ' ' HD3' ' A' ' 68' ' ' PRO . 0.1 OUTLIER 172.64 -54.05 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.523 ' HD3' ' CB ' ' A' ' 67' ' ' ASP . 18.2 Cg_endo -74.98 -45.43 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.476 1.777 . . . . 0.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.16 -18.16 14.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.03 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.487 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 3.7 mmm180 38.46 62.1 4.5 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.295 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.45 ' HD3' ' N ' ' A' ' 70' ' ' ARG . 18.4 Cg_endo -75.04 -166.51 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.478 1.778 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 44.8 p90 -94.72 26.05 3.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 107.977 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.74 86.23 0.51 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.508 1.13 . . . . 0.0 110.953 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -166.45 -42.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 0.766 . . . . 0.0 109.304 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.432 ' HA ' ' HB2' ' A' ' 27' ' ' ALA . 82.7 m-20 -122.49 147.62 46.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.41 ' CB ' ' HA ' ' A' ' 65' ' ' LEU . 1.0 OUTLIER -138.73 175.57 9.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.341 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -122.51 142.2 50.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.969 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.863 ' CZ3' HD13 ' A' ' 55' ' ' LEU . 12.0 m0 -118.46 140.42 49.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.128 . . . . 0.0 107.97 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.5 ' SD ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -119.22 102.84 9.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.976 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.773 HD22 HD11 ' A' ' 16' ' ' ILE . 1.0 OUTLIER -121.15 137.29 54.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.346 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 38.7 p-10 -142.22 157.95 62.26 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.133 0 O-C-N 124.479 1.779 . . . . 0.0 111.012 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.483 0.182 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.0 pt -56.9 -30.99 34.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.26 -51.55 43.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.102 . . . . 0.0 109.276 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.696 ' C ' HD12 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -54.03 -48.99 69.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 1.003 HD11 HG13 ' A' ' 51' ' ' VAL . 1.0 OUTLIER -62.58 -43.88 98.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.5 m -53.48 -47.68 69.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.346 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.451 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 5.3 ptt? -76.12 -18.23 59.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 111.047 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.513 ' HB1' HG13 ' A' ' 29' ' ' ILE . . . -76.34 -49.04 17.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.86 ' HA ' HD13 ' A' ' 24' ' ' LEU . 15.2 mm -73.58 -31.95 34.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.59 -15.88 8.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 110.282 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.492 ' HB2' HD11 ' A' ' 29' ' ' ILE . 32.7 t70 -58.15 -26.23 62.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.437 ' OG ' ' CB ' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -83.8 -149.63 0.1 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 109.967 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -166.25 30.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 85.58 43.24 6.57 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -142.44 -72.97 0.03 OUTLIER Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.48 ' HA ' ' HA ' ' A' ' 79' ' ' MET . 3.8 ppt_? -161.56 159.32 27.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 0.763 . . . . 0.0 110.302 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.86 HD13 ' HA ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -151.62 158.35 43.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.715 HG22 ' HB3' ' A' ' 77' ' ' TYR . 80.7 p -108.19 110.16 21.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.375 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.911 HD11 HD22 ' A' ' 55' ' ' LEU . 3.6 mm? -59.47 -32.46 70.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.499 ' HB1' ' OD1' ' A' ' 75' ' ' ASP . . . -59.05 -52.75 64.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.25 -45.68 87.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.678 HG12 HD11 ' A' ' 24' ' ' LEU . 0.6 OUTLIER -55.54 -30.58 26.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -72.22 -54.43 9.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -61.1 -25.39 66.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -80.69 -49.83 10.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.912 HD13 ' N ' ' A' ' 34' ' ' MET . 0.0 OUTLIER -59.58 -39.03 82.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.912 ' N ' HD13 ' A' ' 33' ' ' LEU . 13.9 mtt -65.33 -49.2 70.32 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.529 1.143 . . . . 0.0 111.018 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.2 -8.41 50.07 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.528 1.142 . . . . 0.0 111.012 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.64 -23.71 12.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 0.767 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.429 ' CE1' ' HE2' ' A' ' 14' ' ' MET . 8.3 m-85 -125.04 96.74 39.31 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 110.998 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -32.99 5.01 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.497 1.788 . . . . 0.0 111.037 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -62.69 -33.3 74.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.738 ' CE2' ' CD2' ' A' ' 47' ' ' TRP . 1.0 OUTLIER -75.01 -26.82 59.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 111.004 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 39.6 ttt-85 -88.47 17.35 5.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.298 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -143.44 53.94 0.59 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.48 1.113 . . . . 0.0 111.041 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.6 m -155.41 -71.47 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 0.767 . . . . 0.0 110.014 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.566 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 5.1 p90 -163.99 105.99 0.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 58.6 p -74.38 57.61 0.71 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.338 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -138.58 25.95 2.81 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.5 1.125 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.738 ' CD2' ' CE2' ' A' ' 40' ' ' PHE . 0.9 OUTLIER -100.28 -4.31 29.58 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.45 ' HG3' ' CZ3' ' A' ' 47' ' ' TRP . 11.1 mtp180 -60.08 -29.94 68.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 110.31 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -74.42 -54.86 6.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 19.7 m -63.95 -36.3 83.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.009 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 1.003 HG13 HD11 ' A' ' 12' ' ' ILE . 10.7 t -64.67 -56.85 13.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.57 ' HG2' ' CH2' ' A' ' 78' ' ' TRP . 41.8 mtm180 -55.3 -44.7 76.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.117 . . . . 0.0 110.346 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.403 ' O ' HD23 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -55.21 -55.49 30.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.592 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -65.73 -22.46 66.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.911 HD22 HD11 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -61.9 -50.91 70.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.574 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -81.23 -26.72 35.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.008 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.403 HD23 ' O ' ' A' ' 53' ' ' HIS . 4.1 mm? -80.81 1.07 32.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 20.9 t30 -106.82 -74.16 0.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.554 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 0.3 OUTLIER -66.47 -53.5 34.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.26 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.543 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 1.2 t 91.3 65.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 108.27 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.574 ' CE1' ' HA ' ' A' ' 56' ' ' SER . 0.2 OUTLIER -119.12 -166.19 1.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.982 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -117.02 165.06 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.527 ' HE2' ' CE2' ' A' ' 78' ' ' TRP . 26.4 ttmt -119.33 150.66 39.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.425 ' N ' ' HG2' ' A' ' 63' ' ' LYS . 44.2 t -124.32 82.15 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.2 tp -82.13 -53.02 6.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.444 ' CZ ' ' HB3' ' A' ' 66' ' ' ARG . 1.5 mtp-105 -98.65 106.98 19.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.269 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 177.49 108.15 0.13 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 63.99 6.03 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.448 1.762 . . . . 0.0 110.993 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.9 m -107.45 -42.4 4.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 110.055 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.423 ' N ' ' HD3' ' A' ' 71' ' ' PRO . 0.7 OUTLIER -136.18 63.43 49.87 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.321 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.423 ' HD3' ' N ' ' A' ' 70' ' ' ARG . 18.5 Cg_endo -75.0 55.26 3.9 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.55 1.816 . . . . 0.0 110.996 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 6.9 p-90 -178.36 38.73 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.529 1.143 . . . . 0.0 107.981 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -95.38 -70.27 1.07 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.116 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.46 ' HB3' ' CB ' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -173.39 -46.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 0.767 . . . . 0.0 109.256 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.499 ' OD1' ' HB1' ' A' ' 27' ' ' ALA . 3.1 m-20 -161.78 -66.52 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 -162.46 149.33 13.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.715 ' HB3' HG22 ' A' ' 25' ' ' THR . 5.4 p90 -120.65 156.57 31.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 111.053 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.722 ' CG ' HD23 ' A' ' 26' ' ' LEU . 13.6 m0 -113.12 157.78 21.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.14 . . . . 0.0 107.991 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.48 ' HA ' ' HA ' ' A' ' 23' ' ' ARG . 2.9 mtp -119.36 110.62 17.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 111.052 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.553 HD13 ' CG2' ' A' ' 16' ' ' ILE . 0.6 OUTLIER -118.92 141.41 48.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 -145.43 157.91 51.69 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.202 0 O-C-N 124.466 1.772 . . . . 0.0 111.0 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.479 0.18 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.4 pp -54.61 -37.74 40.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.89 -42.37 94.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.724 ' C ' HD12 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -57.07 -51.25 70.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.921 ' CD1' HD12 ' A' ' 55' ' ' LEU . 9.2 mm -56.02 -49.72 73.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.353 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.433 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 19.2 m -48.69 -53.22 19.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 110.433 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.46 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 8.2 ptt? -72.14 -13.57 61.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 111.024 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 12' ' ' ILE . . . -79.62 -45.61 18.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.923 HD11 ' CG ' ' A' ' 55' ' ' LEU . 9.6 mm -80.59 -20.86 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.433 ' HB2' ' O ' ' A' ' 13' ' ' THR . 0.1 OUTLIER -64.01 -10.03 19.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 110.302 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.477 ' CB ' HD11 ' A' ' 29' ' ' ILE . 6.7 t70 -63.19 -33.17 74.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.406 ' OG ' ' N ' ' A' ' 20' ' ' ALA . 10.5 p -84.3 -144.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.128 . . . . 0.0 109.971 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.406 ' N ' ' OG ' ' A' ' 19' ' ' SER . . . -167.86 31.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 84.96 43.23 6.81 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.496 1.122 . . . . 0.0 110.969 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 80' ' ' LEU . . . -143.89 -70.37 0.02 OUTLIER Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.592 ' NH2' ' CE2' ' A' ' 72' ' ' TRP . 5.8 ptt85 -161.32 159.64 28.73 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.511 0.771 . . . . 0.0 110.258 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.756 HD13 ' HA ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -158.0 162.89 38.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.637 HG22 ' HB3' ' A' ' 77' ' ' TYR . 65.3 p -109.68 120.19 41.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 110.414 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.876 HD11 HD22 ' A' ' 55' ' ' LEU . 3.0 mm? -71.97 -25.38 61.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.61 -57.93 7.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.57 -39.17 92.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 110.311 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.508 HG22 ' N ' ' A' ' 30' ' ' ASN . 1.2 mp -59.23 -57.14 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.508 ' N ' HG22 ' A' ' 29' ' ' ILE . 60.2 m-20 -49.68 -43.01 46.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -70.3 -24.02 62.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.309 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.407 ' N ' ' O ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -80.97 -37.76 28.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.984 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 1.01 HD13 ' N ' ' A' ' 34' ' ' MET . 0.0 OUTLIER -69.1 -43.82 73.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 1.01 ' N ' HD13 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -62.41 -44.06 97.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.998 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.64 -5.13 67.69 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -106.01 -36.64 6.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 0.784 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.702 ' CD2' ' CD2' ' A' ' 33' ' ' LEU . 9.9 m-30 -103.51 106.74 53.39 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.408 ' HA ' ' HG2' ' A' ' 41' ' ' ARG . 18.1 Cg_endo -75.06 -19.34 17.82 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.476 1.777 . . . . 0.0 110.951 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -78.07 -28.26 48.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.768 ' CD2' ' CZ2' ' A' ' 47' ' ' TRP . 0.0 OUTLIER -78.74 -33.8 46.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.408 ' HG2' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -86.46 11.59 12.18 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.475 1.109 . . . . 0.0 110.264 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -128.14 24.74 5.01 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.48 1.112 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 69.8 m -138.25 -76.81 0.38 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 0.791 . . . . 0.0 110.011 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.554 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 1.9 p90 -168.33 118.51 0.77 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.562 ' O ' HG23 ' A' ' 45' ' ' THR . 9.6 t -85.75 60.55 6.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.14 . . . . 0.0 110.374 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -137.36 41.73 1.37 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.768 ' CZ2' ' CD2' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -115.48 13.95 16.56 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 15.5 ttt-85 -61.22 -25.75 67.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 31.5 t-20 -73.5 -53.37 10.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.413 1.071 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.4 -26.93 62.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.995 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 47' ' ' TRP . 4.5 t -73.13 -59.49 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.419 ' HG3' ' N ' ' A' ' 53' ' ' HIS . 0.8 OUTLIER -57.9 -33.73 69.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 110.339 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.527 ' CE1' HD22 ' A' ' 57' ' ' LEU . 65.8 t-80 -64.41 -55.62 19.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.602 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.455 ' O ' ' N ' ' A' ' 58' ' ' ASN . 1.2 t30 -64.34 -31.29 72.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.923 ' CG ' HD11 ' A' ' 16' ' ' ILE . 0.4 OUTLIER -57.2 -48.68 78.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.571 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 1.6 t -77.55 -33.44 54.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.027 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.527 HD22 ' CE1' ' A' ' 53' ' ' HIS . 2.6 mp -80.85 0.97 32.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 54' ' ' ASN . 2.5 m-20 -96.46 -92.26 0.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.562 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 0.4 OUTLIER -53.67 -46.33 70.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.5 OUTLIER 88.82 62.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 108.301 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.589 ' HE2' HG21 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -119.22 -164.74 1.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 111.009 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 76.1 t -115.86 158.33 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.273 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.566 ' HB2' ' CD1' ' A' ' 78' ' ' TRP . 0.0 OUTLIER -119.05 160.39 22.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.413 ' O ' ' C ' ' A' ' 65' ' ' LEU . 99.0 t -118.95 116.2 50.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 64' ' ' VAL . 0.8 OUTLIER -39.46 152.82 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.8 ttt180 -52.22 106.5 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.352 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -105.85 115.09 62.04 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 79.3 2.71 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.488 1.783 . . . . 0.0 110.971 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -172.8 -72.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 110.043 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.446 ' HB2' ' CE1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -38.69 99.14 0.19 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.289 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -10.37 21.18 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.489 1.784 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.592 ' CE2' ' NH2' ' A' ' 23' ' ' ARG . 13.4 m95 -43.88 -52.8 6.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 108.01 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -99.21 -144.39 16.5 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.502 1.126 . . . . 0.0 110.952 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.98 22.6 0.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 0.752 . . . . 0.0 109.285 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -166.3 -65.2 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 48.2 p-10 -163.82 168.41 19.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.637 ' HB3' HG22 ' A' ' 25' ' ' THR . 2.5 p90 -137.0 159.46 41.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 110.995 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.751 ' CZ3' HD23 ' A' ' 55' ' ' LEU . 27.3 m0 -114.71 165.46 12.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 107.984 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 11.2 ttm -124.16 109.45 13.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.494 ' CB ' ' HB3' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -118.21 150.74 38.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 109.298 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -166.92 140.82 3.15 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.15 0 O-C-N 124.529 1.805 . . . . 0.0 111.013 -179.974 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.499 0.19 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 13.7 tt -67.94 -47.5 78.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 109.332 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.07 -38.4 88.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.937 HD21 HD21 ' A' ' 33' ' ' LEU . 2.6 tp -59.17 -53.35 59.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 1.051 ' O ' HG22 ' A' ' 16' ' ' ILE . 1.1 mp -63.6 -36.15 75.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.3 m -59.15 -50.79 72.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.408 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.731 ' CE ' HD12 ' A' ' 11' ' ' LEU . 6.1 ptt? -69.52 -25.54 64.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.855 ' HB1' HG23 ' A' ' 29' ' ' ILE . . . -71.9 -58.38 3.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 1.051 HG22 ' O ' ' A' ' 12' ' ' ILE . 0.5 OUTLIER -67.9 -25.14 31.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.69 -14.7 6.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.098 . . . . 0.0 110.293 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -53.9 -19.95 5.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.451 ' OG ' ' N ' ' A' ' 20' ' ' ALA . 5.4 p -88.35 -146.12 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.953 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.451 ' N ' ' OG ' ' A' ' 19' ' ' SER . . . -168.84 36.41 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.0 44.84 7.94 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.47 1.106 . . . . 0.0 111.037 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 80' ' ' LEU . . . -147.08 -67.96 0.01 OUTLIER Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.07 144.69 13.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.566 0.803 . . . . 0.0 110.287 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.05 ' O ' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -138.18 148.29 44.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.273 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.626 ' N ' HD22 ' A' ' 24' ' ' LEU . 6.6 p -99.32 116.76 32.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.431 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.773 HD22 HD21 ' A' ' 24' ' ' LEU . 1.2 mm? -74.22 -22.89 59.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.404 ' CB ' ' HB2' ' A' ' 75' ' ' ASP . . . -61.24 -52.61 64.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.09 -40.18 71.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.855 HG23 ' HB1' ' A' ' 15' ' ' ALA . 1.2 mp -55.31 -52.34 46.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -70.54 -29.2 65.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -57.67 -49.19 77.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.946 ' CE1' HD12 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -78.72 -29.43 45.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.946 HD12 ' CE1' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -58.11 -52.19 66.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 10.6 ttt -70.74 -25.76 63.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -78.82 -27.82 55.9 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.48 -29.89 16.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 0.794 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.448 ' CE2' ' CD1' ' A' ' 11' ' ' LEU . 9.7 m-85 -133.3 87.07 39.46 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.973 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -55.16 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.55 1.816 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.431 ' CD1' ' N ' ' A' ' 40' ' ' PHE . 18.5 p90 -59.94 -25.89 65.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.601 ' CE1' ' OH ' ' A' ' 44' ' ' TYR . 1.9 t80 -71.61 -16.07 62.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.967 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.564 ' HD2' ' CE3' ' A' ' 47' ' ' TRP . 3.8 ttt180 -98.84 29.56 3.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.324 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -154.1 60.37 0.39 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.2 m -139.34 -66.4 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 0.0 109.995 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.601 ' OH ' ' CE1' ' A' ' 40' ' ' PHE . 6.1 p90 -116.77 146.19 42.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 42.3 m -82.8 48.68 1.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.415 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -150.59 70.53 0.31 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.679 ' O ' HG23 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -101.69 -82.45 0.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.8 ttm-85 -52.07 -26.34 10.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.312 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -73.53 -52.54 13.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.309 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 52.3 p -71.98 -25.8 62.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.021 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.88 HG13 HD11 ' A' ' 12' ' ' ILE . 50.3 t -68.63 -56.68 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.548 ' HG3' ' CH2' ' A' ' 78' ' ' TRP . 1.1 ttt180 -63.82 -33.57 75.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.284 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.801 ' O ' HD12 ' A' ' 57' ' ' LEU . 1.6 m-70 -62.06 -57.44 11.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 109.582 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -66.99 -31.95 72.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.347 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.909 HD13 ' CZ3' ' A' ' 78' ' ' TRP . 4.7 mt -58.74 -55.21 38.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.414 ' O ' ' HA ' ' A' ' 60' ' ' CYS . 0.0 OUTLIER -74.77 -29.49 61.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.008 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.801 HD12 ' O ' ' A' ' 53' ' ' HIS . 5.2 mt -80.89 1.03 32.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.409 ' OD1' ' C ' ' A' ' 58' ' ' ASN . 12.8 t-20 -95.42 -88.98 0.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 0.9 OUTLIER -81.08 -38.15 27.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.5 OUTLIER 88.06 84.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 108.317 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.612 ' CZ ' ' O ' ' A' ' 55' ' ' LEU . 0.7 OUTLIER -127.09 -167.19 1.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.992 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.8 p -117.77 162.87 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.83 ' HD3' HD23 ' A' ' 65' ' ' LEU . 1.0 OUTLIER -119.05 146.41 45.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.553 HG12 ' O ' ' A' ' 77' ' ' TYR . 7.6 p -126.26 62.1 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.83 HD23 ' HD3' ' A' ' 63' ' ' LYS . 2.2 pp -66.62 -36.97 83.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.7 ttt85 -93.83 103.56 15.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 110.318 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.99 125.61 3.71 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 109.253 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 62.91 5.93 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.476 1.777 . . . . 0.0 111.016 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.85 69.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.997 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.0 64.46 2.29 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.244 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 56.57 4.29 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.502 1.791 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.435 ' CB ' ' CG ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -115.23 -44.05 3.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 107.974 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 149.17 -66.43 0.38 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.463 1.102 . . . . 0.0 110.948 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.3 ptmm? -151.32 38.22 0.63 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 0.789 . . . . 0.0 109.307 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.435 ' CG ' ' CB ' ' A' ' 72' ' ' TRP . 34.1 p-10 -106.37 139.42 40.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 14.6 p30 -143.99 -173.08 3.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.553 ' O ' HG12 ' A' ' 64' ' ' VAL . 4.1 p90 -150.43 165.32 33.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.909 ' CZ3' HD13 ' A' ' 55' ' ' LEU . 30.1 m0 -116.83 161.08 19.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 107.998 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.403 ' O ' ' HB2' ' A' ' 61' ' ' PHE . 2.2 ttp -115.95 121.49 42.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 111.055 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.73 HD13 HD11 ' A' ' 16' ' ' ILE . 1.6 pt? -129.5 135.51 48.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -152.25 107.28 2.79 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.153 0 O-C-N 124.448 1.762 . . . . 0.0 111.009 179.998 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.526 ' CE2' ' OH ' ' A' ' 44' ' ' TYR . 16.2 m-85 . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.526 0.203 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.2 pp -50.47 -27.84 4.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.02 -46.98 40.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.765 ' C ' HD12 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -54.8 -36.21 64.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.999 ' O ' HG22 ' A' ' 16' ' ' ILE . 1.0 OUTLIER -72.93 -46.22 52.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.345 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.514 ' O ' ' CG ' ' A' ' 17' ' ' ARG . 15.1 m -55.03 -45.61 75.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 110.418 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.42 ' HG3' ' N ' ' A' ' 15' ' ' ALA . 11.3 ptt? -71.12 -34.24 70.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.166 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.727 ' HB1' ' CG2' ' A' ' 29' ' ' ILE . . . -66.09 -62.3 1.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.999 HG22 ' O ' ' A' ' 12' ' ' ILE . 2.7 tp -60.96 -29.43 45.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.273 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.514 ' CG ' ' O ' ' A' ' 13' ' ' THR . 0.0 OUTLIER -55.84 -19.45 11.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.324 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.537 ' HB3' HD12 ' A' ' 24' ' ' LEU . 30.6 t0 -50.18 -33.48 19.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.247 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 60.1 p -85.14 -143.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.02 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -170.25 33.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.359 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 84.45 44.18 6.64 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.453 1.096 . . . . 0.0 110.981 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 80' ' ' LEU . . . -139.39 -72.84 0.05 OUTLIER Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -162.94 154.41 17.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 0.794 . . . . 0.0 110.294 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.948 HD21 HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -161.27 154.57 21.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 109.331 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.448 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 4.3 p -102.34 97.71 7.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.366 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 1.014 HD11 ' CD1' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -49.75 -33.37 16.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.492 ' CB ' ' HA ' ' A' ' 75' ' ' ASP . . . -55.57 -50.49 69.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.252 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -64.99 -32.99 74.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 0.0 110.29 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.727 ' CG2' ' HB1' ' A' ' 15' ' ' ALA . 1.2 mp -67.8 -35.52 72.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -70.95 -39.07 72.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -69.85 -30.1 67.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.329 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.522 ' CG ' ' N ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -80.64 -54.57 5.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 111.012 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.988 HD13 ' N ' ' A' ' 34' ' ' MET . 0.0 OUTLIER -53.71 -44.94 70.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.142 . . . . 0.0 109.299 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.988 ' N ' HD13 ' A' ' 33' ' ' LEU . 9.3 ttp -69.0 -43.21 75.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -59.76 -27.58 64.36 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.502 1.126 . . . . 0.0 111.0 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.09 -56.5 3.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 0.744 . . . . 0.0 109.328 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.589 ' CD1' HD22 ' A' ' 33' ' ' LEU . 13.5 m-85 -69.76 114.32 23.86 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 111.047 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 -37.73 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.45 1.763 . . . . 0.0 110.978 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -62.9 -30.87 71.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -77.3 -20.69 54.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 111.036 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.2 ttt-85 -90.97 29.19 1.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -121.35 -63.94 0.24 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.473 1.108 . . . . 0.0 111.022 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 45' ' ' THR . 1.3 m -134.65 -64.82 0.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 0.74 . . . . 0.0 109.965 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.526 ' OH ' ' CE2' ' A' ' 8' ' ' TYR . 3.5 t80 -38.38 96.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.428 ' N ' ' O ' ' A' ' 43' ' ' SER . 3.3 m -134.6 -42.81 0.76 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.412 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -74.19 57.07 2.35 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.523 1.14 . . . . 0.0 110.971 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.691 ' CE3' HG21 ' A' ' 51' ' ' VAL . 6.0 p-90 -125.67 4.77 7.48 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.507 ' O ' ' CG ' ' A' ' 52' ' ' ARG . 2.4 ttm180 -60.38 -29.8 69.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.277 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.409 ' O ' ' HG3' ' A' ' 52' ' ' ARG . 11.8 m120 -72.71 -49.28 32.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.7 t -69.43 -38.1 77.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.991 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.775 HG13 HD11 ' A' ' 12' ' ' ILE . 2.9 t -68.88 -61.63 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.507 ' CG ' ' O ' ' A' ' 48' ' ' ARG . 0.3 OUTLIER -52.8 -32.04 41.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.278 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.509 ' O ' ' CB ' ' A' ' 57' ' ' LEU . 2.4 t60 -70.32 -48.36 56.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.609 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -74.31 -9.44 58.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.123 . . . . 0.0 109.277 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 1.014 ' CD1' HD11 ' A' ' 26' ' ' LEU . 0.4 OUTLIER -82.27 -53.83 5.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.565 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -81.37 -13.09 58.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.986 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.509 ' CB ' ' O ' ' A' ' 53' ' ' HIS . 2.1 tp -81.13 -29.98 34.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -89.51 -77.36 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.648 ' HB3' ' CD2' ' A' ' 61' ' ' PHE . 0.6 OUTLIER -44.96 -42.87 8.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.6 m 68.48 55.97 0.48 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 108.333 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.667 ' HZ ' HD22 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -118.75 -165.94 1.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 111.022 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 50.1 t -119.33 158.55 20.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 78' ' ' TRP . 2.8 ptpt -130.55 173.68 10.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.48 HG22 ' O ' ' A' ' 77' ' ' TYR . 0.8 OUTLIER -119.72 126.31 75.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 109.311 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.8 tp -85.3 100.4 11.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 42.49 77.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.409 ' HB2' HG21 ' A' ' 64' ' ' VAL . 0.2 OUTLIER -78.4 162.67 65.37 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 63.26 5.92 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.477 1.778 . . . . 0.0 110.974 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 66.3 m -132.55 -46.51 0.89 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.12 . . . . 0.0 110.005 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -131.14 67.33 80.54 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.275 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 55.73 4.03 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.453 1.765 . . . . 0.0 111.013 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 14.5 t-105 -114.65 -41.5 3.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 108.006 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 103.53 66.52 0.73 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.555 1.159 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 172.1 47.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 0.759 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.492 ' HA ' ' CB ' ' A' ' 27' ' ' ALA . 0.3 OUTLIER -178.58 145.21 0.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.404 ' O ' ' HA ' ' A' ' 25' ' ' THR . 3.8 t-20 -140.32 146.29 38.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.339 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.48 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.2 OUTLIER -119.16 131.95 55.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 111.032 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.799 ' CD2' HD23 ' A' ' 26' ' ' LEU . 15.2 m0 -116.96 141.65 47.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 107.993 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.628 ' O ' ' HE2' ' A' ' 79' ' ' MET . 0.1 OUTLIER -119.01 108.46 14.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.802 HD22 HD11 ' A' ' 16' ' ' ILE . 0.8 OUTLIER -120.42 154.2 35.48 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.427 ' C ' ' ND2' ' A' ' 81' ' ' ASN . 1.0 OUTLIER -172.68 144.5 1.29 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.414 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.165 0 O-C-N 124.501 1.79 . . . . 0.0 110.951 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.479 ' HA ' HD23 ' A' ' 11' ' ' LEU . 17.3 m-85 . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.532 0.206 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.3 pt -57.62 -37.54 59.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.27 -56.1 12.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.767 HD13 HD23 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -48.19 -38.83 19.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.348 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 1.106 HD11 HG13 ' A' ' 51' ' ' VAL . 16.9 mm -67.8 -47.54 79.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.09 . . . . 0.0 109.327 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.4 m -53.68 -50.69 65.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.357 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.563 ' HE2' ' CE1' ' A' ' 37' ' ' PHE . 2.1 ptt? -74.28 -20.63 60.08 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.451 1.095 . . . . 0.0 111.005 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.537 ' HB2' ' O ' ' A' ' 11' ' ' LEU . . . -69.34 -53.1 21.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.856 HD11 ' CG ' ' A' ' 55' ' ' LEU . 5.7 mm -73.43 -29.46 27.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.157 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.11 -21.68 0.79 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.31 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.403 ' N ' ' C ' ' A' ' 16' ' ' ILE . 10.4 t0 -52.98 -30.5 35.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.1 p -91.87 -146.03 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.001 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -170.08 32.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 80' ' ' LEU . . . 85.47 43.16 6.64 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.568 1.167 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 80' ' ' LEU . . . -140.56 -69.39 0.04 OUTLIER Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.39 159.92 28.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 0.756 . . . . 0.0 110.335 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.649 HD13 ' HA ' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -155.32 157.87 37.85 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.409 ' HA ' ' HA ' ' A' ' 77' ' ' TYR . 0.3 OUTLIER -110.9 98.3 7.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 110.426 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.809 HD11 ' CD2' ' A' ' 55' ' ' LEU . 3.2 mm? -51.54 -30.8 21.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.39 -53.35 53.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -73.27 -38.49 65.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.282 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.648 ' CG1' HD12 ' A' ' 24' ' ' LEU . 1.1 mp -60.49 -39.23 80.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 58.0 m-20 -73.68 -36.65 65.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.142 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -57.88 -42.49 84.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.347 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.715 ' CD1' ' C ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -81.05 -41.77 22.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.959 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.906 ' O ' HD22 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -49.01 -42.7 39.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.574 1.171 . . . . 0.0 109.307 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.866 ' N ' HD13 ' A' ' 33' ' ' LEU . 19.4 ttp -77.32 -46.1 24.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -59.47 -18.57 44.43 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.522 1.139 . . . . 0.0 110.958 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.58 -28.27 13.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 0.764 . . . . 0.0 109.332 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.563 ' CE1' ' HE2' ' A' ' 14' ' ' MET . 3.7 m-85 -105.67 107.95 60.46 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -37.65 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.55 1.816 . . . . 0.0 111.033 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -57.2 -35.16 69.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 110.954 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.755 ' CE2' ' CE2' ' A' ' 47' ' ' TRP . 0.0 OUTLIER -80.42 -23.72 40.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 -89.18 8.39 30.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -139.76 51.45 0.74 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.53 1.144 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 54.8 m -156.45 -82.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 0.734 . . . . 0.0 109.967 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.552 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 2.2 p90 -159.19 119.97 3.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 111.035 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.512 HG22 ' O ' ' A' ' 45' ' ' THR . 19.7 m -86.37 57.91 4.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 110.409 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -137.36 50.12 0.83 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.496 1.122 . . . . 0.0 110.959 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.755 ' CE2' ' CE2' ' A' ' 40' ' ' PHE . 0.6 OUTLIER -125.79 9.42 7.61 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.88 -40.86 85.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -73.14 -50.75 20.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 29.7 t -59.48 -55.0 40.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 110.007 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 1.106 HG13 HD11 ' A' ' 12' ' ' ILE . 51.6 t -54.22 -46.84 68.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.569 ' HG2' ' CH2' ' A' ' 78' ' ' TRP . 50.8 mtt180 -57.43 -42.52 82.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -56.81 -58.2 9.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.613 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.489 ' O ' ' N ' ' A' ' 58' ' ' ASN . 1.8 t-20 -61.2 -37.51 83.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.989 HD12 HD12 ' A' ' 12' ' ' ILE . 0.8 OUTLIER -48.34 -50.28 30.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.576 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 1.1 t -81.37 -28.57 34.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.994 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.9 mp -80.81 3.48 22.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 0.0 109.326 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.489 ' N ' ' O ' ' A' ' 54' ' ' ASN . 29.6 t-20 -106.14 -67.67 0.92 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.572 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -75.6 -48.07 23.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.341 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.475 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.1 OUTLIER 85.72 64.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 108.288 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.599 ' CD2' ' HB3' ' A' ' 80' ' ' LEU . 0.2 OUTLIER -119.33 -163.26 0.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 111.01 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.42 ' O ' ' HB3' ' A' ' 78' ' ' TRP . 98.0 t -115.2 149.86 17.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.605 ' HB2' ' CD1' ' A' ' 78' ' ' TRP . 0.0 OUTLIER -117.6 150.5 38.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.601 HG12 ' O ' ' A' ' 77' ' ' TYR . 0.4 OUTLIER -119.89 142.76 33.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -151.65 24.85 0.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.577 1.173 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.72 81.44 1.9 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.279 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -155.3 163.27 25.13 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 67.48 6.0 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.47 1.774 . . . . 0.0 110.96 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.32 56.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 110.011 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.451 ' CZ ' ' CB ' ' A' ' 70' ' ' ARG . 9.2 mtm105 -137.41 89.4 16.0 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 83.95 1.74 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.453 1.765 . . . . 0.0 111.009 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 1.1 m95 66.82 13.39 9.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 108.022 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 77.59 117.92 0.19 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.47 1.106 . . . . 0.0 110.992 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 173.44 -42.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 0.772 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.83 104.51 14.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -146.27 -178.05 5.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.601 ' O ' HG12 ' A' ' 64' ' ' VAL . 2.7 p90 -150.51 160.16 43.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.973 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.715 ' CZ3' HD23 ' A' ' 55' ' ' LEU . 21.4 m0 -115.28 164.65 13.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 107.999 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -119.94 112.05 18.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.599 ' HB3' ' CD2' ' A' ' 61' ' ' PHE . 0.8 OUTLIER -118.67 151.11 38.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.08 . . . . 0.0 109.302 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 13.4 p-10 -156.18 157.48 31.21 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.546 1.814 . . . . 0.0 110.99 -179.985 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.444 ' HH ' ' HZ ' ' A' ' 40' ' ' PHE . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.466 0.174 . . . . 0.0 110.997 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 65.0 mt -61.63 -53.85 42.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.346 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.11 -32.48 71.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.249 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.808 HD21 HD21 ' A' ' 33' ' ' LEU . 0.8 OUTLIER -59.7 -50.67 72.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 109.288 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.821 HD11 HG22 ' A' ' 51' ' ' VAL . 0.6 OUTLIER -62.56 -40.5 88.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.424 ' OG1' ' ND2' ' A' ' 58' ' ' ASN . 51.7 m -56.28 -54.12 49.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.411 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.43 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 6.4 ptt? -65.48 -26.59 68.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 111.019 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.774 ' HB1' HG12 ' A' ' 29' ' ' ILE . . . -66.82 -52.7 40.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.891 ' HB ' HD21 ' A' ' 55' ' ' LEU . 0.7 OUTLIER -76.32 -20.11 15.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 109.307 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.56 -9.97 22.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.59 ' HB3' HD12 ' A' ' 24' ' ' LEU . 2.0 t0 -75.9 -4.86 43.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.743 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 1.1 p -70.05 -50.73 38.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.973 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.743 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 90.34 43.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 54.11 55.17 27.51 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.477 1.111 . . . . 0.0 111.042 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -163.34 -76.96 0.03 OUTLIER Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.437 ' HA ' ' O ' ' A' ' 78' ' ' TRP . 0.0 OUTLIER -162.5 160.66 26.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 0.766 . . . . 0.0 110.318 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.59 HD12 ' HB3' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -160.12 159.69 32.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.271 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.47 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 4.0 p -104.51 105.64 15.83 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.457 1.098 . . . . 0.0 110.427 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.714 HD23 ' CD2' ' A' ' 78' ' ' TRP . 0.6 OUTLIER -46.52 -29.09 1.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.492 ' HB2' ' HB3' ' A' ' 75' ' ' ASP . . . -52.8 -45.44 67.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.433 ' OE2' ' NE1' ' A' ' 72' ' ' TRP . 0.9 OUTLIER -70.98 -27.71 63.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.578 1.174 . . . . 0.0 110.299 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.774 HG12 ' HB1' ' A' ' 15' ' ' ALA . 1.1 mt -62.21 -59.06 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.478 ' N ' HG22 ' A' ' 29' ' ' ILE . 70.9 m-20 -66.32 -29.01 69.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.347 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -57.47 -50.15 73.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 110.296 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.621 ' CE1' HD12 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -80.49 -24.34 39.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.948 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.808 HD21 HD21 ' A' ' 11' ' ' LEU . 2.1 tp -64.01 -52.58 58.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.2 mtp -73.99 -30.29 62.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 111.014 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -80.13 -17.42 74.37 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.523 1.14 . . . . 0.0 111.012 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.493 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 5.6 tttp -103.02 -49.59 3.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 0.775 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -98.68 109.29 52.67 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 111.032 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -39.74 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.514 1.797 . . . . 0.0 110.975 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -52.62 -36.19 55.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.76 ' CE2' ' CE2' ' A' ' 47' ' ' TRP . 0.1 OUTLIER -74.08 -36.2 64.28 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.128 . . . . 0.0 111.009 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.4 ttt-85 -80.61 2.18 26.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.277 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -125.52 43.78 1.33 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.526 1.141 . . . . 0.0 110.968 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.4 m -152.14 -75.13 0.14 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.464 0.744 . . . . 0.0 110.011 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.562 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 1.7 p90 -173.12 115.43 0.26 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 111.043 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 74.6 p -86.79 50.75 2.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.407 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -126.72 39.59 1.95 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.493 1.121 . . . . 0.0 110.943 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.76 ' CE2' ' CE2' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -109.82 9.47 24.68 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.06 -24.44 39.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.251 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 44.4 m-20 -77.38 -52.76 8.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 109.361 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 87.0 p -68.7 -35.01 76.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.993 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.821 HG22 HD11 ' A' ' 12' ' ' ILE . 2.4 t -66.1 -54.97 21.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.426 ' CG ' ' CH2' ' A' ' 78' ' ' TRP . 1.5 tmm_? -55.78 -40.26 72.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.228 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.418 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 0.2 OUTLIER -60.63 -55.96 26.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.571 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -65.13 -16.65 63.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 1.008 HD13 ' CZ3' ' A' ' 78' ' ' TRP . 0.5 OUTLIER -71.11 -54.43 11.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.9 t -81.06 -21.85 39.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.969 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.418 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 4.5 tp -80.33 0.8 31.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.424 ' ND2' ' OG1' ' A' ' 13' ' ' THR . 59.5 t-20 -123.73 -54.13 1.75 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.147 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.6 ' HB3' ' CD2' ' A' ' 61' ' ' PHE . 0.3 OUTLIER -80.22 -50.22 10.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 34.0 m 75.56 69.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 108.288 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.86 ' CZ ' HD22 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -127.31 -165.46 1.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.989 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 85.1 t -118.74 152.82 20.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.515 ' HD3' ' CE2' ' A' ' 78' ' ' TRP . 2.6 ttpt -120.58 148.13 44.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.527 ' CG2' ' CD2' ' A' ' 77' ' ' TYR . 16.6 m -125.8 67.36 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.267 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.846 HD22 ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -84.19 -22.41 30.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.813 ' N ' HD13 ' A' ' 65' ' ' LEU . 0.7 OUTLIER -99.96 65.22 1.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 110.31 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.3 t70 178.87 80.3 0.16 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.255 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 60.29 5.4 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.545 1.813 . . . . 0.0 111.022 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 33.7 m -71.83 -49.76 35.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.557 1.161 . . . . 0.0 110.026 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.421 ' N ' ' HD3' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -157.85 63.37 2.74 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.31 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.421 ' HD3' ' N ' ' A' ' 70' ' ' ARG . 18.4 Cg_endo -74.94 -169.08 0.58 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.556 1.819 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.433 ' NE1' ' OE2' ' A' ' 28' ' ' GLU . 3.7 m95 -93.96 28.93 2.25 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 100.48 -40.48 2.41 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.528 1.142 . . . . 0.0 111.032 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -159.75 46.41 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 0.784 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.492 ' HB3' ' HB2' ' A' ' 27' ' ' ALA . 0.3 OUTLIER -138.2 -165.77 1.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 109.236 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -149.18 166.84 27.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.621 ' CD1' ' N ' ' A' ' 77' ' ' TYR . 0.4 OUTLIER -129.31 153.26 48.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 1.008 ' CZ3' HD13 ' A' ' 55' ' ' LEU . 13.8 m0 -113.02 153.7 27.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 107.999 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.2 ptm -119.4 108.16 14.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.985 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.586 ' HB3' ' CD2' ' A' ' 61' ' ' PHE . 0.4 OUTLIER -119.5 136.04 54.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.112 . . . . 0.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -145.63 98.5 4.53 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.173 0 O-C-N 124.478 1.778 . . . . 0.0 110.965 179.983 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.68 ' HA ' HD23 ' A' ' 11' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.499 0.19 . . . . 0.0 110.977 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -48.64 -31.7 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.47 -52.23 19.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 109.35 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.75 ' HG ' HD12 ' A' ' 12' ' ' ILE . 0.4 OUTLIER -55.92 -35.83 67.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.9 HD11 ' CG2' ' A' ' 51' ' ' VAL . 1.1 mp -74.26 -36.88 44.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.5 m -61.47 -46.2 91.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.41 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.444 ' CG ' ' OH ' ' A' ' 32' ' ' TYR . 13.2 ptt? -75.61 -29.66 59.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.127 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.7 ' HB1' HG23 ' A' ' 29' ' ' ILE . . . -69.51 -58.48 3.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.895 HD11 HD21 ' A' ' 55' ' ' LEU . 22.1 mm -63.85 -32.69 58.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.46 -22.13 1.11 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.749 ' HB2' HD11 ' A' ' 29' ' ' ILE . 34.5 t0 -48.58 -30.99 5.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.117 . . . . 0.0 109.26 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 59.5 p -91.77 -144.73 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.968 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -173.05 34.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 80' ' ' LEU . . . 85.7 43.09 6.58 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.506 1.129 . . . . 0.0 110.966 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 80' ' ' LEU . . . -142.72 -69.52 0.03 OUTLIER Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.36 158.7 27.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 0.765 . . . . 0.0 110.297 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.863 HD13 ' HA ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -156.17 164.1 38.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.415 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 6.1 p -114.22 111.68 21.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.393 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.761 HD11 HD22 ' A' ' 55' ' ' LEU . 2.2 mm? -63.36 -26.38 68.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.785 ' HB2' ' HB2' ' A' ' 75' ' ' ASP . . . -63.24 -53.32 54.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.412 ' O ' ' HB3' ' A' ' 32' ' ' TYR . 3.7 tm-20 -66.61 -42.37 86.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.749 HD11 ' HB2' ' A' ' 18' ' ' ASP . 1.1 mp -62.68 -30.94 50.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -67.95 -51.73 44.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 0.0 109.298 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -68.15 -23.58 64.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 110.321 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.504 ' CE2' ' HA ' ' A' ' 15' ' ' ALA . 0.2 OUTLIER -80.8 -39.26 27.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.986 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 1.022 HD13 ' N ' ' A' ' 34' ' ' MET . 0.0 OUTLIER -69.24 -46.63 66.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 1.022 ' N ' HD13 ' A' ' 33' ' ' LEU . 5.7 ttp -74.39 -31.04 62.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.943 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -79.24 3.96 64.62 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.5 mmtp -115.65 -36.87 4.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 0.771 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.406 ' CB ' ' HB2' ' A' ' 40' ' ' PHE . 10.5 m-30 -98.28 110.52 56.66 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.426 ' HA ' ' HG2' ' A' ' 41' ' ' ARG . 18.2 Cg_endo -74.95 -27.27 10.26 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.501 1.79 . . . . 0.0 110.976 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -74.57 -22.29 59.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 111.022 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.406 ' HB2' ' CB ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -80.32 -38.51 30.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 111.032 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.426 ' HG2' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -79.32 3.27 18.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -123.31 19.2 7.69 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.2 m -126.95 -85.87 0.6 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 0.805 . . . . 0.0 110.038 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.567 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 2.0 p90 -159.35 122.38 3.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.585 HG22 ' O ' ' A' ' 45' ' ' THR . 16.2 m -91.13 53.27 2.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 110.447 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -123.04 41.26 1.82 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.504 1.128 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -118.4 7.24 11.89 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.19 -43.32 67.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -79.36 -51.85 8.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.355 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.52 -46.71 66.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.994 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.9 ' CG2' HD11 ' A' ' 12' ' ' ILE . 1.9 p -66.19 -48.79 80.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.474 ' N ' ' CG1' ' A' ' 51' ' ' VAL . 0.2 OUTLIER -49.18 -39.53 29.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.259 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -67.97 -57.07 6.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.628 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.466 ' O ' ' ND2' ' A' ' 58' ' ' ASN . 3.9 m120 -63.3 -14.66 52.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.895 HD21 HD11 ' A' ' 16' ' ' ILE . 0.6 OUTLIER -81.24 -43.28 19.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.579 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 6.7 p -77.72 -29.36 51.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 0.0 109.965 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.0 mt -81.69 -30.28 32.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.466 ' ND2' ' O ' ' A' ' 54' ' ' ASN . 0.5 OUTLIER -60.1 -86.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.604 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 0.2 OUTLIER -56.24 -54.66 42.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.604 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 4.8 t 98.49 56.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 108.306 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.597 ' CD2' ' HB3' ' A' ' 80' ' ' LEU . 0.2 OUTLIER -119.11 -166.45 1.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 79' ' ' MET . 4.0 m -117.03 169.85 7.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.495 ' HA ' ' HA ' ' A' ' 78' ' ' TRP . 17.1 mttt -118.59 163.22 17.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 60.4 t -119.87 83.75 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.1 tp -82.64 125.33 31.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.8 ttt-85 48.83 94.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.333 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -143.88 121.53 6.79 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.335 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 76.52 3.38 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.499 1.789 . . . . 0.0 111.001 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.1 m -136.62 -51.0 0.68 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.041 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.433 ' N ' ' HD3' ' A' ' 71' ' ' PRO . 7.9 ptp180 -135.99 62.68 47.56 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.433 ' HD3' ' N ' ' A' ' 70' ' ' ARG . 18.3 Cg_endo -74.99 54.54 3.67 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.519 1.799 . . . . 0.0 110.981 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 7.1 t90 -176.14 38.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 108.016 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -95.59 -57.81 1.16 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.497 1.123 . . . . 0.0 110.96 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.3 mttt 179.71 -53.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 0.748 . . . . 0.0 109.334 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.785 ' HB2' ' HB2' ' A' ' 27' ' ' ALA . 81.1 m-20 -153.95 -64.29 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -165.04 168.03 17.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.347 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.545 ' CD1' ' N ' ' A' ' 77' ' ' TYR . 1.7 p90 -140.82 157.74 44.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.97 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.814 ' CZ3' HD23 ' A' ' 55' ' ' LEU . 18.6 m0 -114.46 162.83 16.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 108.037 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.469 ' O ' HG22 ' A' ' 62' ' ' VAL . 12.2 ttm -119.63 114.39 22.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 111.03 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.597 ' HB3' ' CD2' ' A' ' 61' ' ' PHE . 1.2 pt? -119.96 157.33 29.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.245 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 11.1 p-10 -168.56 160.46 8.66 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.177 0 O-C-N 124.532 1.806 . . . . 0.0 110.982 -179.984 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.49 0.186 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.428 HD13 ' N ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -68.82 -15.42 19.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.85 -51.93 9.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.753 ' CD1' HD21 ' A' ' 33' ' ' LEU . 1.1 pp -61.95 -37.99 86.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 1.001 ' O ' HG22 ' A' ' 16' ' ' ILE . 0.7 OUTLIER -68.87 -41.38 82.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.725 HG22 ' HD2' ' A' ' 17' ' ' ARG . 9.3 m -62.53 -50.57 70.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.385 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.523 ' CE ' ' OH ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -74.78 -15.17 60.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.65 ' HB2' ' O ' ' A' ' 11' ' ' LEU . . . -80.24 -55.4 4.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 1.001 HG22 ' O ' ' A' ' 12' ' ' ILE . 0.4 OUTLIER -72.29 -23.17 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.725 ' HD2' HG22 ' A' ' 13' ' ' THR . 12.2 mtt-85 -61.05 -10.19 5.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.577 1.173 . . . . 0.0 110.352 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -80.84 6.43 13.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.685 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 3.9 p -83.46 -39.03 21.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.007 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.685 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 82.99 41.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 48.85 45.98 31.79 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.507 1.129 . . . . 0.0 111.022 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 80' ' ' LEU . . . -149.83 -72.11 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.1 ptt180 -161.05 158.88 28.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 0.779 . . . . 0.0 110.314 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.743 HD21 HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -160.18 160.24 32.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.476 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -102.34 101.73 12.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 110.402 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.861 HD21 ' CD2' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -51.64 -35.22 41.23 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.481 ' CB ' ' HB2' ' A' ' 75' ' ' ASP . . . -52.73 -49.18 65.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.431 ' HB2' HG23 ' A' ' 25' ' ' THR . 0.4 OUTLIER -65.67 -30.97 71.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.344 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.733 ' CD1' HD11 ' A' ' 24' ' ' LEU . 1.3 mp -68.28 -39.24 80.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -63.97 -52.68 58.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -29.83 70.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 110.234 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.523 ' OH ' ' CE ' ' A' ' 14' ' ' MET . 1.3 t80 -77.38 -30.61 53.77 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.487 1.117 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.753 HD21 ' CD1' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -73.54 -52.67 12.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.1 ptm -71.51 -21.62 61.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -79.88 -22.06 64.59 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.525 1.14 . . . . 0.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.99 -59.77 1.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.423 0.72 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -70.02 113.11 15.23 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 111.021 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.407 ' HA ' ' HG2' ' A' ' 41' ' ' ARG . 18.4 Cg_endo -75.01 -32.94 4.95 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.454 1.765 . . . . 0.0 111.006 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -65.47 -31.82 73.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 110.971 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.806 ' CD2' ' CZ2' ' A' ' 47' ' ' TRP . 1.5 m-30 -73.8 -38.17 64.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.407 ' HG2' ' HA ' ' A' ' 38' ' ' PRO . 0.3 OUTLIER -89.94 24.79 2.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.329 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -143.34 -45.42 0.05 OUTLIER Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.522 1.139 . . . . 0.0 111.02 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 26.8 m -69.71 -76.63 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 0.798 . . . . 0.0 109.984 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.548 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 2.6 p90 -168.49 125.74 1.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.962 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.447 HG23 ' CZ2' ' A' ' 47' ' ' TRP . 36.0 m -94.83 39.82 1.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 110.403 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -102.74 46.8 1.18 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.475 1.109 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.806 ' CZ2' ' CD2' ' A' ' 40' ' ' PHE . 0.8 OUTLIER -128.91 17.78 6.18 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.0 -47.34 74.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 110.316 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -79.1 -40.75 30.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.18 -50.76 72.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.04 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.768 HG13 HD11 ' A' ' 12' ' ' ILE . 13.0 t -65.98 -47.68 84.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.402 ' HG2' ' CH2' ' A' ' 78' ' ' TRP . 61.0 mtt180 -53.96 -40.4 66.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.324 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -67.63 -58.35 4.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.606 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.405 ' O ' ' OD1' ' A' ' 58' ' ' ASN . 81.0 m-20 -58.14 -20.99 44.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.96 HD12 HG23 ' A' ' 12' ' ' ILE . 0.8 OUTLIER -78.85 -40.01 33.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 109.328 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.576 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -72.19 -45.08 61.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.003 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.7 pp -79.4 0.82 27.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.405 ' OD1' ' O ' ' A' ' 54' ' ' ASN . 0.4 OUTLIER -77.02 -76.0 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.261 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.54 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 0.2 OUTLIER -82.23 -32.56 29.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.461 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 0.1 OUTLIER 84.65 61.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 108.289 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.787 ' CZ ' HD13 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -119.32 -165.5 1.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.973 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.454 HG12 ' O ' ' A' ' 79' ' ' MET . 3.5 p -117.52 154.48 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.553 ' HB2' ' CD1' ' A' ' 78' ' ' TRP . 0.5 OUTLIER -119.07 157.32 28.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.261 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 58.3 t -132.71 107.15 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.563 ' O ' HD12 ' A' ' 65' ' ' LEU . 1.3 pp -156.96 62.24 0.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 176.84 99.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.322 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 172.84 155.01 0.25 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 55.02 3.81 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.531 1.806 . . . . 0.0 110.997 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.1 75.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.986 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.506 ' CD ' ' OH ' ' A' ' 77' ' ' TYR . 0.2 OUTLIER 168.73 -53.9 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 0.0 110.307 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.481 ' HD3' ' CB ' ' A' ' 70' ' ' ARG . 18.2 Cg_endo -74.98 55.53 3.96 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.471 1.774 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -93.67 -31.8 14.31 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -104.72 -85.73 1.87 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 175.3 41.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 0.757 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.481 ' HB2' ' CB ' ' A' ' 27' ' ' ALA . 3.8 p-10 -158.3 164.05 36.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -150.23 -174.05 4.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.526 ' C ' ' HD1' ' A' ' 78' ' ' TRP . 1.9 p90 -141.79 163.25 33.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.902 ' CZ3' HD23 ' A' ' 55' ' ' LEU . 13.4 m0 -114.59 167.8 10.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 0.0 108.0 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.454 ' O ' HG12 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -126.33 109.53 12.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.087 . . . . 0.0 110.996 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.796 HD22 HD11 ' A' ' 16' ' ' ILE . 0.7 OUTLIER -119.26 148.28 43.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 29.6 p30 -153.68 154.35 30.17 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.19 0 O-C-N 124.452 1.764 . . . . 0.0 111.024 -179.996 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 120.474 0.178 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.414 HG23 ' N ' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -56.42 -50.4 72.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.414 ' N ' HG23 ' A' ' 9' ' ' ILE . . . -64.88 -31.47 72.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.587 1.179 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.88 HD11 ' HG ' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -62.75 -42.67 99.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.818 HD13 HD23 ' A' ' 11' ' ' LEU . 4.4 mm -68.29 -64.42 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -42.16 -36.62 1.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.384 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 40.7 ttp -74.91 -36.83 62.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 111.04 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' A' ' 12' ' ' ILE . . . -69.13 -37.63 78.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.108 . . . . 0.0 109.277 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.677 HD11 ' CG ' ' A' ' 55' ' ' LEU . 10.3 mm -78.16 -28.26 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.49 -16.34 3.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 110.286 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -72.76 -26.55 61.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.252 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.928 ' CB ' HD21 ' A' ' 80' ' ' LEU . 0.7 OUTLIER -69.28 -58.37 4.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.016 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.768 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 91.87 45.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 50.6 57.23 10.94 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.553 1.158 . . . . 0.0 110.985 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 80' ' ' LEU . . . -158.02 -74.07 0.02 OUTLIER Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.1 ppt_? -161.21 156.25 23.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 0.754 . . . . 0.0 110.278 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.588 HD21 HG23 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -160.92 170.52 20.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.45 ' HA ' ' HA ' ' A' ' 77' ' ' TYR . 7.5 p -113.59 114.1 26.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.511 1.132 . . . . 0.0 110.373 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.888 HD11 HD22 ' A' ' 55' ' ' LEU . 3.3 mm? -62.65 -28.15 69.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.24 -51.32 68.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -74.2 -36.61 64.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.247 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.582 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 0.6 OUTLIER -56.41 -52.85 47.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.469 ' N ' HG22 ' A' ' 29' ' ' ILE . 62.0 t-20 -70.52 -31.4 68.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -54.69 -45.55 73.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.289 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.734 ' CE1' HD12 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -80.08 -34.1 38.31 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 111.024 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.88 ' HG ' HD11 ' A' ' 11' ' ' LEU . 1.9 tp -52.51 -48.36 66.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -80.59 -33.35 36.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -76.61 -0.99 69.68 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.512 1.132 . . . . 0.0 110.977 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.5 tttt -113.66 -51.1 2.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 0.75 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.801 ' CE1' HD12 ' A' ' 11' ' ' LEU . 38.5 m-85 -83.64 115.76 61.16 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 110.991 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -36.8 2.33 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.476 1.777 . . . . 0.0 110.98 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -62.16 -32.2 72.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 110.997 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 1.8 m-30 -70.91 -45.42 64.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.1 ptt85 -83.35 7.8 15.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.319 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -113.21 -48.97 0.58 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.5 1.125 . . . . 0.0 110.968 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.2 m -70.04 -76.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 0.738 . . . . 0.0 110.002 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.542 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 2.0 p90 -156.88 122.96 4.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.978 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.0 t -89.39 37.95 0.88 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.388 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -114.54 57.7 0.46 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.474 1.109 . . . . 0.0 111.044 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.413 ' O ' HG12 ' A' ' 51' ' ' VAL . 1.2 p-90 -131.25 21.63 4.82 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.8 ttp180 -63.55 -47.28 82.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 56.2 m-20 -74.95 -34.72 62.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.1 t -69.02 -53.63 19.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.163 . . . . 0.0 109.996 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.64 HG23 HD11 ' A' ' 12' ' ' ILE . 4.6 p -57.08 -51.0 74.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.484 ' N ' HG13 ' A' ' 51' ' ' VAL . 0.7 OUTLIER -56.88 -39.62 74.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.27 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.476 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 37.2 t60 -56.54 -57.36 12.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.557 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.5 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 2.5 m-20 -65.19 -28.42 69.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.261 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.888 HD22 HD11 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -55.34 -54.13 47.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.544 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.3 OUTLIER -81.22 -29.05 34.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.992 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.476 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 1.4 tp -80.12 0.73 30.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 9.5 t30 -103.44 -81.44 0.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.609 ' HB3' ' CD2' ' A' ' 61' ' ' PHE . 1.1 t70 -62.83 -53.6 51.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.562 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 4.0 t 92.98 66.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 108.278 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.609 ' CD2' ' HB3' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -119.5 -164.58 1.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.987 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 70.0 t -115.52 153.68 17.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.171 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.608 ' HB3' ' CD1' ' A' ' 78' ' ' TRP . 0.0 OUTLIER -119.22 154.27 33.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.78 HG13 ' HB2' ' A' ' 67' ' ' ASP . 13.1 t -118.48 82.89 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 66' ' ' ARG . 0.2 OUTLIER -62.7 83.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.454 ' CG ' ' HA ' ' A' ' 69' ' ' SER . 0.1 OUTLIER 34.85 69.85 0.15 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.246 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.78 ' HB2' HG13 ' A' ' 64' ' ' VAL . 0.2 OUTLIER -80.86 -52.0 0.91 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 67' ' ' ASP . 18.2 Cg_endo -75.07 0.03 9.43 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.474 1.776 . . . . 0.0 111.031 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.454 ' HA ' ' CG ' ' A' ' 66' ' ' ARG . 0.1 OUTLIER 64.65 54.73 1.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.019 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.59 ' HD2' ' CE2' ' A' ' 77' ' ' TYR . 15.9 mtp85 -47.96 105.1 0.46 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 110.283 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -2.49 12.62 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.477 1.778 . . . . 0.0 110.996 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 38.7 m95 -45.26 -55.75 5.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 107.973 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -173.45 -83.24 0.05 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.513 1.133 . . . . 0.0 110.954 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.7 tttm -163.62 57.32 0.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 0.75 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -128.73 -176.1 3.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.152 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -170.44 162.57 8.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.59 ' CE2' ' HD2' ' A' ' 70' ' ' ARG . 1.3 p90 -126.42 160.39 30.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 111.026 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.645 ' CG ' HD23 ' A' ' 26' ' ' LEU . 28.0 m0 -115.18 158.58 22.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 107.991 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -119.91 113.78 21.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 111.027 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.928 HD21 ' CB ' ' A' ' 19' ' ' SER . 1.1 pt? -118.31 159.17 23.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -175.38 133.12 0.46 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.135 0 O-C-N 124.551 1.816 . . . . 0.0 110.983 -179.978 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.464 ' HA ' ' CD2' ' A' ' 11' ' ' LEU . 20.9 m-30 . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.461 0.172 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.1 tt -68.73 -37.14 77.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.341 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.54 -56.93 4.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.325 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 1.02 HD13 HD21 ' A' ' 33' ' ' LEU . 0.7 OUTLIER -50.11 -38.49 38.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.865 HD12 HD12 ' A' ' 55' ' ' LEU . 4.0 mm -65.58 -49.93 74.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.1 m -47.29 -46.75 25.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.391 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.445 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 3.3 ptt? -77.41 -22.94 50.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.993 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.98 -46.56 77.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.719 HD11 ' CD1' ' A' ' 55' ' ' LEU . 2.7 mm -80.38 -32.13 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.63 -23.28 0.64 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.333 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.4 ' N ' ' C ' ' A' ' 16' ' ' ILE . 63.4 t0 -49.68 -38.05 31.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.34 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.2 -145.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.045 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -166.53 30.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 84.43 40.51 8.37 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 80' ' ' LEU . . . -136.11 -71.08 0.06 OUTLIER Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.044 -0.823 . . . . 0.0 111.044 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.02 160.98 31.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 0.76 . . . . 0.0 110.335 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.81 HD12 ' CD1' ' A' ' 29' ' ' ILE . 0.1 OUTLIER -150.11 160.72 43.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.529 HG22 ' HB3' ' A' ' 77' ' ' TYR . 60.3 p -113.34 111.48 22.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.396 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.819 HD11 HD22 ' A' ' 55' ' ' LEU . 4.6 mm? -60.91 -28.48 68.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.72 -53.41 51.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -71.69 -35.39 70.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.282 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.81 ' CD1' HD12 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -59.7 -50.54 79.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.528 ' OD1' ' CZ3' ' A' ' 47' ' ' TRP . 1.3 t30 -68.53 -32.0 71.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -56.14 -49.57 73.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.594 ' CD1' ' C ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -72.93 -34.75 66.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 0.0 110.996 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 1.02 HD21 HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -55.08 -52.06 64.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.1 ttp -73.1 -38.09 66.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.42 -14.81 69.71 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.527 1.142 . . . . 0.0 110.961 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 44.8 tttp -96.83 -56.52 2.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 0.753 . . . . 0.0 109.339 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -71.32 114.36 27.09 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -16.79 19.97 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.558 1.82 . . . . 0.0 111.03 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -89.66 -23.13 21.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.983 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 4.6 m-30 -84.54 -18.63 35.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -88.82 20.75 3.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 110.297 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -115.46 -66.89 0.42 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 45' ' ' THR . 5.4 m -125.99 -56.52 1.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 0.739 . . . . 0.0 109.977 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.51 ' O ' ' NE1' ' A' ' 47' ' ' TRP . 0.3 OUTLIER -59.88 81.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.449 ' N ' ' O ' ' A' ' 43' ' ' SER . 21.2 m -131.15 4.11 4.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.415 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -118.08 42.54 1.8 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.448 1.093 . . . . 0.0 110.987 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.846 ' CE3' HG21 ' A' ' 51' ' ' VAL . 1.7 p-90 -103.72 7.57 37.28 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -55.8 -22.22 23.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.263 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -77.12 -50.75 12.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 68.4 m -73.06 -34.01 66.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.99 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.846 HG21 ' CE3' ' A' ' 47' ' ' TRP . 2.0 t -65.89 -54.82 23.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 55.2 mtm180 -59.13 -42.93 91.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.332 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.49 ' O ' ' CB ' ' A' ' 57' ' ' LEU . 0.2 OUTLIER -55.34 -51.14 67.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.585 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.573 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 2.2 t30 -70.25 -29.36 66.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.865 HD12 HD12 ' A' ' 12' ' ' ILE . 0.3 OUTLIER -54.37 -55.99 23.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.571 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 1.5 t -82.1 -28.32 32.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.965 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.49 ' CB ' ' O ' ' A' ' 53' ' ' HIS . 1.9 tp -80.21 1.7 27.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.573 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 6.4 t-20 -108.6 -79.31 0.58 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.125 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.66 ' HB3' ' CD2' ' A' ' 61' ' ' PHE . 4.0 t70 -61.22 -51.54 68.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.522 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 7.0 m 89.12 66.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 108.28 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.66 ' CD2' ' HB3' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -122.59 -164.56 1.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.96 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.431 ' O ' ' HB3' ' A' ' 78' ' ' TRP . 11.7 t -115.24 149.91 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.614 ' HB2' ' CD1' ' A' ' 78' ' ' TRP . 0.0 OUTLIER -116.59 150.38 38.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.313 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.472 ' CG1' ' HB2' ' A' ' 67' ' ' ASP . 3.9 t -119.59 133.32 66.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.261 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.1 tt -91.55 -75.05 0.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.0 mtm180 -139.81 83.16 1.91 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.088 . . . . 0.0 110.29 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.472 ' HB2' ' CG1' ' A' ' 64' ' ' VAL . 0.6 OUTLIER -113.06 162.59 21.13 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 71.53 4.98 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.51 1.795 . . . . 0.0 111.018 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.71 -62.04 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.998 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.425 ' N ' ' HD3' ' A' ' 71' ' ' PRO . 2.7 mpt_? -136.48 63.16 46.76 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.425 ' HD3' ' N ' ' A' ' 70' ' ' ARG . 18.3 Cg_endo -75.0 55.06 3.83 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.481 1.779 . . . . 0.0 110.962 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.548 ' O ' ' CG ' ' A' ' 72' ' ' TRP . 43.0 t-105 179.66 40.85 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 107.997 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -100.95 -179.08 29.13 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.506 1.128 . . . . 0.0 111.012 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.05 -40.06 57.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 0.744 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -168.85 -66.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -158.48 159.99 36.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.544 ' CD1' ' N ' ' A' ' 77' ' ' TYR . 2.0 p90 -137.81 157.31 46.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.683 ' CZ3' HD22 ' A' ' 55' ' ' LEU . 27.2 m0 -114.73 163.55 15.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 108.005 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.22 111.94 18.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 111.022 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.712 ' CD2' HD22 ' A' ' 24' ' ' LEU . 0.6 OUTLIER -119.43 145.12 46.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 -155.1 157.96 31.95 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.461 1.769 . . . . 0.0 111.029 179.99 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.435 ' OH ' HG23 ' A' ' 51' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.526 0.203 . . . . 0.0 110.994 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.561 ' H ' HD13 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -64.9 -36.35 77.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.79 -43.75 35.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 1.021 HD21 HD21 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -58.11 -39.25 78.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.916 ' O ' HG22 ' A' ' 16' ' ' ILE . 0.4 OUTLIER -69.32 -60.21 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.339 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.611 ' N ' HG22 ' A' ' 12' ' ' ILE . 3.6 m -48.2 -33.47 8.57 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.462 1.101 . . . . 0.0 110.409 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.475 ' CE ' ' OH ' ' A' ' 32' ' ' TYR . 34.4 ttp -74.35 -42.49 59.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 111.017 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.757 ' HB1' HG23 ' A' ' 29' ' ' ILE . . . -65.56 -51.55 58.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.916 HG22 ' O ' ' A' ' 12' ' ' ILE . 0.4 OUTLIER -66.46 -31.36 53.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.457 ' CG ' ' O ' ' A' ' 13' ' ' THR . 0.0 OUTLIER -53.23 -17.7 1.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.25 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -45.76 -25.81 0.56 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.484 ' HB3' ' CB ' ' A' ' 24' ' ' LEU . 5.1 p -86.52 -145.77 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.024 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.454 ' N ' ' OG ' ' A' ' 19' ' ' SER . . . -171.61 33.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 86.15 44.51 5.93 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.468 1.105 . . . . 0.0 111.023 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 80' ' ' LEU . . . -148.41 -66.98 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.2 ptt85 -161.28 141.08 10.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.608 0.828 . . . . 0.0 110.314 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.954 ' O ' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -135.75 142.55 45.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.811 ' N ' HD22 ' A' ' 24' ' ' LEU . 76.0 p -92.24 114.95 27.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.392 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.789 HD23 ' CD2' ' A' ' 78' ' ' TRP . 0.2 OUTLIER -74.61 -25.92 59.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.509 ' HB1' ' CG ' ' A' ' 75' ' ' ASP . . . -63.94 -48.24 77.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.67 -35.17 72.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.328 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.757 HG23 ' HB1' ' A' ' 15' ' ' ALA . 1.3 mp -61.32 -60.97 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.548 ' N ' HG22 ' A' ' 29' ' ' ILE . 8.9 m120 -61.9 -30.05 70.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -56.96 -51.6 68.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.59 ' CD1' ' C ' ' A' ' 32' ' ' TYR . 0.2 OUTLIER -80.84 -17.32 51.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 111.044 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 1.021 HD21 HD21 ' A' ' 11' ' ' LEU . 2.6 tp -71.37 -49.48 41.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 5.6 ptt? -71.08 -22.75 62.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 110.967 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.59 -43.94 42.17 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.52 1.137 . . . . 0.0 110.993 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.9 mtmt -74.43 -40.25 62.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 0.749 . . . . 0.0 109.238 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.546 ' CE2' ' CD1' ' A' ' 11' ' ' LEU . 4.9 m-85 -121.33 75.85 32.74 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 111.012 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -19.16 18.17 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.48 1.779 . . . . 0.0 110.993 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -90.91 -20.71 21.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 111.021 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.579 ' CE1' ' OH ' ' A' ' 44' ' ' TYR . 4.6 t80 -86.01 -15.29 41.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.515 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 0.0 OUTLIER -98.21 26.8 5.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.315 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -150.79 58.0 0.44 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.469 1.106 . . . . 0.0 110.996 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.66 -71.02 0.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 109.982 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.579 ' OH ' ' CE1' ' A' ' 40' ' ' PHE . 7.5 p90 -110.13 143.08 40.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.158 . . . . 0.0 111.025 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.493 HG22 ' O ' ' A' ' 45' ' ' THR . 30.5 m -77.61 53.87 1.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.45 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -156.55 72.53 0.24 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.515 ' CE2' ' HA ' ' A' ' 41' ' ' ARG . 0.2 OUTLIER -106.65 -75.11 0.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.421 ' O ' ' CB ' ' A' ' 52' ' ' ARG . 11.7 mtm180 -58.48 -29.39 66.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.12 . . . . 0.0 110.289 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -71.27 -54.46 10.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 73.2 m -67.3 -45.36 76.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.988 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.862 HG22 HD11 ' A' ' 12' ' ' ILE . 15.8 t -58.18 -52.21 61.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.421 ' CB ' ' O ' ' A' ' 48' ' ' ARG . 2.3 tmt_? -61.05 -32.2 71.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.304 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.409 ' O ' ' HB3' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -62.82 -56.2 19.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.545 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.569 ' HA ' HD23 ' A' ' 57' ' ' LEU . 1.5 m-80 -67.03 -33.54 75.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.687 ' O ' ' CZ ' ' A' ' 61' ' ' PHE . 3.6 mt -59.42 -46.4 88.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.555 1.159 . . . . 0.0 109.316 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.409 ' O ' ' HA ' ' A' ' 60' ' ' CYS . 10.5 p -76.3 -36.42 58.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.021 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.909 ' O ' HD12 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -81.3 1.98 30.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.444 ' HB3' ' O ' ' A' ' 55' ' ' LEU . 12.2 t-20 -85.34 -94.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.439 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 1.2 m-20 -81.92 -31.74 31.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 0.0 109.342 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.439 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 10.0 m 82.97 86.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 108.303 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.687 ' CZ ' ' O ' ' A' ' 55' ' ' LEU . 0.5 OUTLIER -128.91 -165.52 1.52 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 60.1 t -116.94 155.25 18.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.576 ' HG3' ' CD1' ' A' ' 78' ' ' TRP . 8.7 ttmt -119.64 142.91 48.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.706 HG12 ' O ' ' A' ' 77' ' ' TYR . 9.8 p -125.07 137.98 55.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.2 tp -127.22 -51.28 1.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.78 108.08 15.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.13 . . . . 0.0 110.274 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.486 ' CB ' ' OH ' ' A' ' 77' ' ' TYR . 0.1 OUTLIER -159.3 159.99 28.54 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 0.0 109.271 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 60.53 5.47 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.464 1.771 . . . . 0.0 110.971 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.426 ' CB ' ' HD2' ' A' ' 70' ' ' ARG . 3.4 m -142.51 -54.74 0.42 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.004 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.426 ' HD2' ' CB ' ' A' ' 69' ' ' SER . 0.0 OUTLIER -143.01 68.82 18.16 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.324 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -37.01 2.2 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.469 1.773 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -115.32 44.93 1.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 107.964 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -111.92 -137.25 7.1 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.533 1.146 . . . . 0.0 111.029 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -160.98 30.28 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 0.775 . . . . 0.0 109.255 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.509 ' CG ' ' HB1' ' A' ' 27' ' ' ALA . 78.0 m-20 -148.52 175.08 11.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.357 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.446 ' N ' ' OD1' ' A' ' 76' ' ' ASN . 5.3 p-10 -170.76 176.14 4.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.706 ' O ' HG12 ' A' ' 64' ' ' VAL . 0.6 OUTLIER -134.7 160.04 39.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.958 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.789 ' CD2' HD23 ' A' ' 26' ' ' LEU . 8.8 m0 -113.8 160.17 19.0 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.0 ttm -118.92 109.42 15.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 111.017 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.629 ' CD2' HD12 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -119.3 137.86 53.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -148.17 157.09 43.19 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.173 0 O-C-N 124.462 1.769 . . . . 0.0 110.993 -179.983 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.458 ' HA ' HD23 ' A' ' 11' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.458 0.17 . . . . 0.0 111.006 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.7 tp -53.49 -34.1 22.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.43 -46.15 56.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.792 HD13 HD11 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -54.83 -37.36 66.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.997 HD11 HG22 ' A' ' 51' ' ' VAL . 45.3 mm -68.42 -57.74 8.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 50.9 m -42.87 -42.63 3.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.404 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.522 ' CE ' ' OH ' ' A' ' 32' ' ' TYR . 9.5 ptt? -80.5 -24.1 39.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 12' ' ' ILE . . . -73.29 -51.29 18.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.873 HG23 ' HG ' ' A' ' 24' ' ' LEU . 1.6 mm -72.92 -34.11 45.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.417 ' HB2' ' HA ' ' A' ' 14' ' ' MET . 0.0 OUTLIER -46.17 -23.39 0.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 110.277 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.422 ' N ' ' C ' ' A' ' 16' ' ' ILE . 5.4 t70 -60.23 -31.04 69.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.726 ' CB ' HD21 ' A' ' 80' ' ' LEU . 1.4 p -68.79 -68.09 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.997 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.723 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 86.35 49.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 61.96 59.78 9.08 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.514 1.134 . . . . 0.0 111.042 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -155.64 -73.99 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.43 ' O ' ' HB2' ' A' ' 19' ' ' SER . 3.1 ptt180 -159.61 132.8 6.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 0.763 . . . . 0.0 110.283 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.873 ' HG ' HG23 ' A' ' 16' ' ' ILE . 2.0 tm? -118.37 130.04 55.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.573 ' O ' HD13 ' A' ' 29' ' ' ILE . 23.0 p -102.97 121.73 43.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.1 . . . . 0.0 110.378 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.897 HD11 HD22 ' A' ' 55' ' ' LEU . 4.1 mm? -75.59 -21.76 57.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.34 -57.23 7.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.89 -34.45 77.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 110.27 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.573 HD13 ' O ' ' A' ' 25' ' ' THR . 1.3 mp -65.37 -40.56 88.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -61.69 -49.92 74.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.82 -27.36 68.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.356 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.522 ' OH ' ' CE ' ' A' ' 14' ' ' MET . 0.8 OUTLIER -80.23 -26.13 39.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.792 HD11 HD13 ' A' ' 11' ' ' LEU . 0.6 OUTLIER -75.47 -52.58 10.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 109.305 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 74.6 mtm -67.37 -26.03 66.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -79.8 -20.43 68.27 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.538 1.149 . . . . 0.0 110.981 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.504 ' HG3' ' CE1' ' A' ' 32' ' ' TYR . 3.1 mmtm -103.89 -58.85 1.81 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 0.768 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -78.13 113.92 37.71 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.966 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -39.5 1.18 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.492 1.786 . . . . 0.0 110.984 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -61.55 -30.66 70.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -76.45 -29.11 56.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 111.016 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.7 ttt180 -99.39 30.65 3.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.3 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -148.36 -45.96 0.03 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.489 1.118 . . . . 0.0 111.055 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 28.9 m -69.74 -77.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 0.756 . . . . 0.0 109.998 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.532 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 10.4 p90 -159.11 123.82 4.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 41.3 p -89.99 36.82 0.87 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.404 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -110.71 52.8 0.61 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.481 1.113 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.44 ' NE1' ' O ' ' A' ' 44' ' ' TYR . 0.1 OUTLIER -126.9 6.3 6.62 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -55.64 -38.57 69.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.305 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -72.43 -52.27 16.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 66.6 m -59.65 -55.23 36.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.004 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.997 HG22 HD11 ' A' ' 12' ' ' ILE . 0.5 OUTLIER -53.64 -44.46 57.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.421 ' N ' ' CG1' ' A' ' 51' ' ' VAL . 65.1 mtt180 -61.1 -43.82 98.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 0.0 110.338 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 61.1 m170 -55.57 -49.83 71.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.614 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.511 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 1.3 t-20 -69.31 -31.28 69.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.897 HD22 HD11 ' A' ' 26' ' ' LEU . 0.4 OUTLIER -55.58 -52.44 63.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.098 . . . . 0.0 109.266 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.569 ' HA ' ' CE1' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -79.33 -31.94 43.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.944 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 37.2 mt -80.22 1.17 29.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.511 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 7.2 t30 -101.11 -77.47 0.54 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.659 ' HB3' ' CD2' ' A' ' 61' ' ' PHE . 3.7 t70 -67.89 -54.51 18.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.585 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 2.3 t 94.76 71.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 108.343 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.841 ' HE2' HG21 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -125.76 -165.1 1.38 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 110.975 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.449 ' O ' ' HB3' ' A' ' 78' ' ' TRP . 72.2 t -115.48 153.84 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.597 ' HB2' ' CD1' ' A' ' 78' ' ' TRP . 0.2 OUTLIER -116.67 148.84 40.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.896 HG22 ' O ' ' A' ' 77' ' ' TYR . 5.5 m -120.72 41.53 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.164 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 66' ' ' ARG . 2.3 mt -41.97 149.81 0.13 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 65' ' ' LEU . 58.7 ttt180 38.51 64.96 0.68 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 110.267 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.448 ' CG ' ' CE1' ' A' ' 77' ' ' TYR . 8.3 p-10 -88.58 135.78 32.05 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 71.67 4.92 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.535 1.808 . . . . 0.0 111.021 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.5 m -153.73 -56.46 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 110.037 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -117.91 81.7 16.09 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -33.41 4.58 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.497 1.788 . . . . 0.0 110.961 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 13.0 m0 -114.66 45.3 1.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 107.976 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -106.04 -148.02 15.79 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.515 1.135 . . . . 0.0 111.021 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.3 tptt -62.72 -52.84 61.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 0.779 . . . . 0.0 109.326 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 171.23 -69.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -168.79 164.16 11.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.896 ' O ' HG22 ' A' ' 64' ' ' VAL . 27.5 p90 -143.14 160.83 39.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.973 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.677 ' CZ3' HD22 ' A' ' 55' ' ' LEU . 20.1 m0 -115.25 162.29 17.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 107.984 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.406 ' N ' ' O ' ' A' ' 62' ' ' VAL . 0.2 OUTLIER -117.89 122.0 42.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 111.013 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.803 HD23 ' H ' ' A' ' 80' ' ' LEU . 2.2 pt? -121.99 154.7 36.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -168.01 153.33 6.72 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.15 0 O-C-N 124.495 1.787 . . . . 0.0 110.943 -179.989 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.49 0.186 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 tt -54.98 -46.25 76.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.74 -42.54 97.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.091 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.934 HD11 HD21 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -55.32 -44.04 75.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.996 HD12 HD12 ' A' ' 55' ' ' LEU . 20.1 mm -60.38 -55.41 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.9 m -50.49 -38.34 43.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 110.411 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 56.9 ttp -77.34 -23.64 50.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 111.046 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.431 ' HB2' HD11 ' A' ' 33' ' ' LEU . . . -78.14 -52.26 8.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.249 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.721 ' HA ' HD13 ' A' ' 24' ' ' LEU . 8.3 mm -69.31 -31.34 49.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -46.47 -23.76 0.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.25 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.583 ' HB3' HD11 ' A' ' 29' ' ' ILE . 5.9 t70 -48.38 -30.92 5.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 60.3 p -91.23 -143.95 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.0 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -171.05 33.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.69 43.33 7.33 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.459 1.099 . . . . 0.0 111.035 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.46 ' CA ' ' O ' ' A' ' 80' ' ' LEU . . . -141.4 -68.65 0.03 OUTLIER Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.8 ptt180 -161.08 163.74 31.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 0.749 . . . . 0.0 110.295 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.721 HD13 ' HA ' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -160.45 171.82 18.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.443 ' HA ' ' O ' ' A' ' 76' ' ' ASN . 31.1 p -129.49 118.78 22.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.446 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.591 ' HG ' ' CZ2' ' A' ' 78' ' ' TRP . 4.2 mm? -66.53 -20.85 66.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.474 ' HB2' ' HB2' ' A' ' 75' ' ' ASP . . . -62.03 -51.33 68.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.63 -39.02 46.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.583 HD11 ' HB3' ' A' ' 18' ' ' ASP . 1.1 mp -55.1 -47.64 76.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -73.36 -36.72 66.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -49.84 -46.41 51.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.333 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.869 ' CZ ' HD12 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -80.39 -35.94 34.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 110.979 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.934 HD21 HD11 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -54.49 -44.67 72.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.419 ' HG3' ' N ' ' A' ' 35' ' ' GLY . 5.1 ptp -80.31 -26.23 38.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 111.019 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.419 ' N ' ' HG3' ' A' ' 34' ' ' MET . . . -78.66 -21.68 68.53 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.493 1.12 . . . . 0.0 110.999 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -95.04 -59.56 1.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 0.74 . . . . 0.0 109.258 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.688 ' CE1' HD12 ' A' ' 11' ' ' LEU . 65.0 m-85 -74.25 113.85 27.71 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -38.53 1.53 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.475 1.776 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -61.65 -32.49 72.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -71.81 -39.15 70.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 111.015 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.13 24.48 4.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.338 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -138.25 -48.18 0.07 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.551 1.157 . . . . 0.0 111.009 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.6 m -69.73 -68.48 0.41 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 0.777 . . . . 0.0 109.98 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.611 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 2.2 p90 -163.02 107.5 1.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.425 ' O ' HG23 ' A' ' 45' ' ' THR . 7.8 t -78.67 52.31 1.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.414 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -144.02 79.31 0.25 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.56 1.162 . . . . 0.0 111.043 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.643 ' CE3' HG21 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -139.56 17.74 2.54 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.419 ' O ' ' HG2' ' A' ' 52' ' ' ARG . 53.4 ttm-85 -58.75 -23.62 60.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.304 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -75.8 -51.75 11.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.5 p -71.56 -32.41 68.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 0.0 109.986 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.643 HG21 ' CE3' ' A' ' 47' ' ' TRP . 2.8 t -66.63 -62.22 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.419 ' HG2' ' O ' ' A' ' 48' ' ' ARG . 0.9 OUTLIER -53.27 -37.83 62.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 110.333 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.532 ' O ' ' CB ' ' A' ' 57' ' ' LEU . 0.1 OUTLIER -58.0 -53.37 59.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.6 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.519 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 3.6 t30 -72.83 -23.43 60.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.996 HD12 HD12 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -61.88 -56.74 16.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.58 -36.44 38.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.97 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.532 ' CB ' ' O ' ' A' ' 53' ' ' HIS . 7.3 tt -66.45 -9.18 31.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.519 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 16.0 t30 -103.24 -78.27 0.55 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.649 ' HB3' ' CD2' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -62.08 -56.4 19.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.325 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.509 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 4.0 t 88.81 63.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 108.292 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.649 ' CD2' ' HB3' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -119.39 -167.0 1.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.97 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.443 HG12 ' N ' ' A' ' 63' ' ' LYS . 40.7 t -117.36 163.2 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.443 ' N ' HG12 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -118.66 155.32 31.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 10.1 t -121.42 -43.2 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.249 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 60.28 177.76 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -40.28 113.26 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.33 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -161.36 157.73 22.14 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 78.17 2.94 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.511 1.795 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.1 p -149.25 -46.4 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.005 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.549 ' HD3' ' CE1' ' A' ' 77' ' ' TYR . 0.1 OUTLIER -128.19 76.79 77.63 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.277 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 49.71 2.31 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.535 1.808 . . . . 0.0 111.013 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -105.09 -27.84 11.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 108.006 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -139.57 -60.49 0.04 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.119 . . . . 0.0 110.981 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 75.93 39.52 0.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 0.77 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.474 ' HB2' ' HB2' ' A' ' 27' ' ' ALA . 4.2 m-20 -110.06 -68.33 0.93 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.443 ' O ' ' HA ' ' A' ' 25' ' ' THR . 9.6 m120 -156.14 107.29 2.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.549 ' CE1' ' HD3' ' A' ' 70' ' ' ARG . 0.6 OUTLIER -118.31 123.45 45.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 111.028 179.92 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.648 ' CZ3' ' CD2' ' A' ' 55' ' ' LEU . 11.3 m0 -115.05 155.51 26.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 108.042 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -125.26 114.8 19.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.148 . . . . 0.0 110.973 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.637 HD22 ' CD2' ' A' ' 24' ' ' LEU . 1.1 pt? -120.34 153.57 36.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.265 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -166.53 154.85 9.53 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.176 0 O-C-N 124.468 1.773 . . . . 0.0 110.95 -179.983 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.51 0.195 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.551 HD12 ' N ' ' A' ' 10' ' ' ALA . 2.6 pp -61.85 -47.25 94.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.551 ' N ' HD12 ' A' ' 9' ' ' ILE . . . -61.93 -41.33 97.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.968 HD21 HD21 ' A' ' 33' ' ' LEU . 0.5 OUTLIER -58.55 -50.33 74.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.338 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.693 ' N ' HD23 ' A' ' 11' ' ' LEU . 0.5 OUTLIER -61.58 -40.8 87.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 35.1 m -52.45 -48.34 65.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.423 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.436 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 7.1 ptt? -77.43 -20.23 54.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.566 ' HB1' HG23 ' A' ' 29' ' ' ILE . . . -74.53 -52.73 11.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 109.332 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.572 HD11 ' CG ' ' A' ' 55' ' ' LEU . 24.3 mm -69.07 -35.69 69.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -46.2 -22.24 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.424 ' N ' ' C ' ' A' ' 16' ' ' ILE . 22.1 t0 -52.87 -38.56 61.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.774 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 1.7 p -70.11 -63.9 0.99 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.045 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.774 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 92.82 38.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 69.36 57.24 7.65 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.532 1.145 . . . . 0.0 110.988 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 80' ' ' LEU . . . -158.02 -74.57 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.422 ' C ' ' HB3' ' A' ' 19' ' ' SER . 0.0 OUTLIER -160.83 130.88 5.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 0.776 . . . . 0.0 110.297 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.716 HD22 HD22 ' A' ' 80' ' ' LEU . 0.1 OUTLIER -119.57 169.65 9.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.431 ' HA ' ' HA ' ' A' ' 77' ' ' TYR . 72.5 p -127.52 92.84 3.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 110.388 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.72 HD11 HD22 ' A' ' 55' ' ' LEU . 4.5 mm? -45.22 -27.64 0.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.491 ' CB ' ' HB2' ' A' ' 75' ' ' ASP . . . -65.85 -49.98 66.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.45 -36.69 65.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 110.302 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.602 ' CD1' HD12 ' A' ' 24' ' ' LEU . 1.4 mp -60.03 -54.25 37.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -68.38 -28.72 67.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 0.0 109.274 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -58.45 -50.32 74.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.641 ' CD1' ' C ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -79.02 -24.96 43.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.968 HD21 HD21 ' A' ' 11' ' ' LEU . 3.2 tp -59.22 -53.01 63.19 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -80.38 -29.4 37.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -79.92 -3.58 89.35 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.493 1.121 . . . . 0.0 110.948 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 10.5 tttp -113.3 -52.39 2.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 0.781 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.517 ' CZ ' HD12 ' A' ' 11' ' ' LEU . 32.5 m-85 -85.42 113.6 51.66 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.413 ' HA ' ' HG2' ' A' ' 41' ' ' ARG . 18.3 Cg_endo -74.97 -31.76 5.99 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.452 1.764 . . . . 0.0 111.066 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -68.06 -31.08 70.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.744 ' CE2' ' CE2' ' A' ' 47' ' ' TRP . 0.1 OUTLIER -70.31 -42.72 71.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 110.968 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.413 ' HG2' ' HA ' ' A' ' 38' ' ' PRO . 0.6 OUTLIER -81.74 5.92 17.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -133.6 45.85 1.09 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.496 1.122 . . . . 0.0 111.012 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 36.2 m -151.18 -72.26 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 0.756 . . . . 0.0 110.002 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.583 ' CG ' ' O ' ' A' ' 44' ' ' TYR . 2.7 p90 -168.58 105.66 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.996 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.609 HG22 ' O ' ' A' ' 45' ' ' THR . 10.8 m -78.16 53.97 1.29 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.399 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -136.61 39.88 1.59 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.504 1.127 . . . . 0.0 111.013 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.744 ' CE2' ' CE2' ' A' ' 40' ' ' PHE . 0.1 OUTLIER -109.49 -3.96 16.63 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 11.8 ttp85 -50.46 -25.77 4.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.243 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.421 ' O ' ' HG2' ' A' ' 52' ' ' ARG . 0.9 OUTLIER -76.6 -49.28 16.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.13 -25.05 60.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 109.992 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.471 ' N ' ' O ' ' A' ' 47' ' ' TRP . 2.9 t -71.63 -58.11 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.421 ' HG2' ' O ' ' A' ' 49' ' ' ASN . 14.7 ptt180 -56.42 -47.34 79.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.574 1.171 . . . . 0.0 110.334 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.428 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 0.6 OUTLIER -54.08 -56.78 14.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.591 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.501 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 7.1 t-20 -62.32 -29.16 70.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.72 HD22 HD11 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -54.91 -54.29 44.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.06 -27.07 33.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.005 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.428 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 1.8 tp -80.94 1.07 32.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 5.5 t30 -112.24 -66.02 1.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.578 ' HB3' ' CD2' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -79.7 -52.93 7.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.256 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.49 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 5.0 m 86.37 72.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 108.317 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.578 ' CD2' ' HB3' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -125.99 -165.7 1.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 110.99 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.418 HG12 ' N ' ' A' ' 63' ' ' LYS . 70.5 t -116.58 160.61 15.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.531 ' HE3' ' CE2' ' A' ' 78' ' ' TRP . 0.0 OUTLIER -118.02 154.08 32.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.434 ' N ' ' HG2' ' A' ' 63' ' ' LYS . 40.7 t -119.14 88.74 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.568 1.167 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' A' ' 64' ' ' VAL . 0.2 OUTLIER -39.23 154.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 0.0 109.239 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.45 ' NH2' ' O ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -60.77 86.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.271 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.23 166.84 11.37 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 68.65 5.76 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.479 1.778 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.6 m -123.45 -45.81 2.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.022 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.51 ' HD3' ' CZ ' ' A' ' 77' ' ' TYR . 1.6 mtp85 -132.22 68.99 80.42 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 110.316 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -0.17 9.64 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.523 1.802 . . . . 0.0 111.034 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -42.86 -41.01 3.12 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -119.53 -131.36 4.21 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.534 1.146 . . . . 0.0 111.042 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.45 ' O ' ' NH2' ' A' ' 66' ' ' ARG . 0.5 OUTLIER -162.58 41.77 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 0.788 . . . . 0.0 109.273 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.491 ' HB2' ' CB ' ' A' ' 27' ' ' ALA . 8.3 p-10 -117.45 -173.7 2.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.407 ' OD1' ' O ' ' A' ' 64' ' ' VAL . 49.7 t30 -132.95 149.66 52.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 109.235 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.56 ' CD1' ' N ' ' A' ' 77' ' ' TYR . 1.3 p90 -131.56 153.83 49.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.964 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.657 ' CZ3' HD22 ' A' ' 55' ' ' LEU . 26.4 m0 -114.43 160.91 18.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 108.011 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.7 ptm -118.98 112.51 19.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 111.022 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.716 HD22 HD22 ' A' ' 24' ' ' LEU . 0.6 OUTLIER -119.01 153.25 34.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -160.23 155.87 22.25 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 109.332 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.16 0 O-C-N 124.473 1.775 . . . . 0.0 110.979 -179.937 . . . . . . . . 0 0 . 1 stop_ save_