data_2rq9_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 2rq9 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.892 0 N-CA-C 111.043 -0.406 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.406 ' N ' ' HD2' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -140.22 170.27 16.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.03 149.32 41.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 24.9 mt -91.66 104.29 16.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.475 ' HB2' ' CD2' ' A' ' 130' ' ' LEU . 62.1 t80 -86.75 148.13 25.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 111.042 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.468 ' O ' ' C ' ' A' ' 12' ' ' SER . 44.2 t -128.3 78.31 1.83 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 108.301 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.468 ' C ' ' O ' ' A' ' 11' ' ' CYS . 2.5 p -34.44 -37.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.018 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 11' ' ' CYS . 13.2 t30 -40.2 -52.0 2.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.356 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -121.89 -37.02 0.68 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.474 1.109 . . . . 0.0 110.971 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.453 ' C ' ' ND1' ' A' ' 16' ' ' HIS . . . 93.67 77.77 1.38 Allowed Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.453 ' ND1' ' C ' ' A' ' 15' ' ' GLY . 47.9 m80 -154.15 160.86 42.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 0.789 . . . . 0.0 109.63 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -101.81 139.79 36.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 111.015 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.6 tp -79.49 120.5 23.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.35 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.464 ' HB3' ' CG2' ' A' ' 37' ' ' ILE . 5.2 ptm180 -118.28 154.64 31.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 110.293 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.592 ' O ' ' CE1' ' A' ' 36' ' ' HIS . 4.5 mt -124.73 127.32 72.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.474 HD11 ' CG2' ' A' ' 25' ' ' THR . 18.6 mt -94.84 157.41 36.83 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.253 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.408 ' HB3' ' CG2' ' A' ' 56' ' ' THR . 18.4 Cg_endo -74.99 0.28 9.1 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.509 1.794 . . . . 0.0 111.013 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -98.49 5.19 48.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.5 45.61 10.88 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.481 1.113 . . . . 0.0 111.021 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.474 ' CG2' HD11 ' A' ' 21' ' ' LEU . 2.3 m -125.7 147.66 49.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 0.787 . . . . 0.0 110.376 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.2 t -133.94 120.88 37.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.339 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -146.8 162.27 38.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -90.77 159.44 26.84 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.426 ' N ' ' HB3' ' A' ' 16' ' ' HIS . 2.5 t -170.92 137.16 1.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 0.782 . . . . 0.0 110.424 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.0 42.04 1.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.35 94.66 4.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -49.81 -31.96 12.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.122 . . . . 0.0 110.242 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.0 t -52.02 -39.6 59.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.029 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -43.5 119.92 1.78 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -93.82 73.78 4.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 110.281 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.817 ' HE2' HG21 ' A' ' 56' ' ' THR . 1.1 t-80 -178.79 -40.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.57 1.169 . . . . 0.0 109.568 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.464 ' CG2' ' HB3' ' A' ' 19' ' ' ARG . 28.3 pt -46.23 -25.86 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.417 ' N ' ' C ' ' A' ' 36' ' ' HIS . 51.9 mt-30 -64.36 100.5 0.36 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 55.0 mt -111.77 147.41 35.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.471 ' HB2' ' CG2' ' A' ' 54' ' ' THR . 0.5 OUTLIER -105.33 114.61 28.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 110.304 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.3 mp -92.77 135.64 33.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.249 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.1 m -138.21 155.64 48.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.566 1.166 . . . . 0.0 109.993 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -109.4 125.54 52.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.451 ' HG2' ' OG ' ' A' ' 45' ' ' SER . 0.4 OUTLIER -107.24 -44.68 4.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.312 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.451 ' OG ' ' HG2' ' A' ' 44' ' ' GLU . 0.7 OUTLIER -128.34 167.23 17.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.976 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.7 p -60.02 122.29 9.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.81 21.37 76.57 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.497 ' OE2' ' CD1' ' A' ' 81' ' ' LEU . 7.8 mt-10 -125.06 137.08 54.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 0.766 . . . . 0.0 110.289 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 32.6 m -135.21 151.26 30.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.257 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.515 ' CZ ' ' HB2' ' A' ' 79' ' ' LEU . 0.6 OUTLIER -116.51 132.47 56.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 11.1 mt -117.71 116.86 53.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.547 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -141.38 152.96 44.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.422 ' OG ' ' CE1' ' A' ' 36' ' ' HIS . 0.1 OUTLIER -84.34 136.89 33.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 110.012 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.471 ' CG2' ' HB2' ' A' ' 40' ' ' GLN . 20.9 p -100.91 11.24 39.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.423 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -103.28 -54.83 2.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.306 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.817 HG21 ' HE2' ' A' ' 36' ' ' HIS . 12.7 p -92.57 -51.45 5.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.384 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 117.48 35.57 1.07 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.451 1.094 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -112.13 156.15 22.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 0.755 . . . . 0.0 110.315 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.547 ' CD1' ' HG2' ' A' ' 52' ' ' LYS . 2.6 m-30 -107.02 139.87 40.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 111.031 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.0 tp -77.48 113.21 15.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.085 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -136.34 152.1 50.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 42.7 ttm -107.92 115.98 31.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 111.059 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.94 -163.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 69.2 p -84.36 -18.15 37.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.442 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -75.66 -9.23 58.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.435 ' HA3' ' CD ' ' A' ' 116' ' ' PRO . . . 87.93 -14.38 58.88 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.423 ' CD1' ' HG3' ' A' ' 114' ' ' ARG . 2.4 mp -77.76 158.69 29.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 0.779 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.7 mt -95.91 144.68 26.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.565 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 1.9 p90 -154.38 160.91 41.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -87.37 121.75 5.95 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.5 t -86.74 139.47 30.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 0.74 . . . . 0.0 110.057 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -69.83 -33.88 72.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.312 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.6 p -123.96 159.49 56.16 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.433 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 112.02 3.46 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.48 1.779 . . . . 0.0 110.984 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -126.79 152.92 46.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -47.64 -25.82 1.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.613 ' CD ' ' HE2' ' A' ' 97' ' ' HIS . 23.5 mt-10 -63.13 -30.15 71.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.309 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 58.2 m -76.32 -23.04 54.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 108.315 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.515 ' HB2' ' CZ ' ' A' ' 50' ' ' TYR . 23.1 tp -87.78 131.42 34.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 0.0 109.257 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -126.37 164.64 20.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 111.02 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.497 ' CD1' ' OE2' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -104.04 126.39 51.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.253 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.09 140.87 42.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.331 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.58 166.59 24.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 0.0 110.324 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -98.49 108.89 21.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -99.75 161.0 13.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 110.3 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 87' ' ' ASN . 2.9 mt-10 -62.75 169.44 3.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.278 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 86' ' ' GLU . 2.1 t30 81.5 -2.94 1.65 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 72.96 54.86 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.576 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.53 ' CG ' ' HB3' ' A' ' 126' ' ' LEU . 3.9 m-85 -143.56 151.6 40.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 111.028 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -105.31 153.89 21.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.415 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 4.0 p -125.37 169.05 12.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.436 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.415 ' CD1' ' O ' ' A' ' 91' ' ' THR . 37.3 m-85 -146.35 133.11 20.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 111.027 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.563 HD12 ' CE2' ' A' ' 103' ' ' PHE . 57.1 mt -131.29 138.77 52.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.0 t -68.5 138.33 55.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.999 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.42 ' C ' ' N ' ' A' ' 97' ' ' HIS . 0.0 OUTLIER -64.86 -74.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.497 ' HB3' ' CD2' ' A' ' 97' ' ' HIS . 0.8 OUTLIER -42.8 -28.48 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.613 ' HE2' ' CD ' ' A' ' 77' ' ' GLU . 0.3 OUTLIER -124.37 58.84 1.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 109.605 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.409 ' HA ' ' CG2' ' A' ' 93' ' ' ILE . . . -92.26 -45.01 8.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -66.7 -14.91 63.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.28 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.583 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 11.5 mttt -79.21 -5.55 54.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 49.52 63.94 1.96 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.583 ' CD1' ' O ' ' A' ' 100' ' ' LYS . 49.9 m0 -113.06 132.06 55.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 108.013 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.563 ' CE2' HD12 ' A' ' 93' ' ' ILE . 81.7 m-85 -118.16 148.74 42.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.518 ' O ' ' CZ ' ' A' ' 127' ' ' PHE . 43.1 t -88.31 94.69 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.269 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.425 ' HA2' ' CE1' ' A' ' 127' ' ' PHE . . . -132.29 169.39 22.24 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.453 1.096 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.475 ' CD2' ' HA ' ' A' ' 112' ' ' CYS . 1.2 mt -132.73 159.82 38.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 0.772 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 10.0 mttm -84.73 -171.9 3.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.259 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.69 -16.85 43.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.122 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -88.09 6.19 37.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.458 1.099 . . . . 0.0 109.245 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 73.72 38.22 50.62 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.506 1.129 . . . . 0.0 110.967 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.9 m -116.14 147.43 41.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 0.77 . . . . 0.0 110.0 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . 0.475 ' HA ' ' CD2' ' A' ' 106' ' ' LEU . 25.6 p -66.76 135.16 53.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 108.302 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 114' ' ' ARG . 12.5 tttp -90.3 115.52 27.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.437 ' CB ' ' HG3' ' A' ' 117' ' ' ARG . 2.7 mpp_? -36.97 141.24 0.13 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 0.0 110.266 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . 0.456 ' C ' ' H ' ' A' ' 117' ' ' ARG . . . -57.97 -57.54 19.3 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.495 1.122 . . . . 0.0 110.961 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.435 ' CD ' ' HA3' ' A' ' 66' ' ' GLY . 18.3 Cg_endo -74.97 39.99 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.534 1.807 . . . . 0.0 111.042 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.456 ' H ' ' C ' ' A' ' 115' ' ' GLY . 2.5 mmt-85 -144.02 18.0 1.77 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 110.33 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.8 p -114.65 157.7 22.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.406 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.488 ' N ' ' NE2' ' A' ' 122' ' ' GLN . 0.1 OUTLIER -163.48 175.43 10.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.595 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -79.73 136.61 36.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 108.03 -8.45 36.15 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.501 1.126 . . . . 0.0 110.999 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.488 ' NE2' ' N ' ' A' ' 119' ' ' HIS . 60.3 mt-30 -90.43 150.92 21.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 0.75 . . . . 0.0 110.349 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.2 tppm? -92.59 11.28 27.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.415 ' HB3' ' ND2' ' A' ' 13' ' ' ASN . . . -91.09 -42.13 10.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 2.4 pt -67.0 -40.89 86.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.53 ' HB3' ' CG ' ' A' ' 89' ' ' TYR . 43.7 mt -61.01 109.86 1.19 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.518 ' CZ ' ' O ' ' A' ' 104' ' ' VAL . 1.3 m-30 -120.27 144.5 47.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 0.0 111.049 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 8.8 tp -125.53 111.85 25.6 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 106.97 2.38 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.511 1.796 . . . . 0.0 110.983 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.475 ' CD2' ' HB2' ' A' ' 10' ' ' TYR . 2.3 mm? -89.1 145.51 34.5 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 134.9 18.27 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.484 1.781 . . . . 0.0 111.016 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 1.4 p . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 -179.957 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.419 ' CB ' ' O ' ' A' ' 39' ' ' LEU . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.896 0 N-CA-C 111.01 -0.419 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -145.18 164.23 31.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.573 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 0.4 OUTLIER -103.44 140.65 37.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 109.263 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.455 ' HB3' ' CD2' ' A' ' 127' ' ' PHE . 2.1 mm? -92.5 104.29 16.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.255 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.466 ' HB2' ' CD2' ' A' ' 130' ' ' LEU . 34.0 t80 -78.82 148.79 32.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.981 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 13' ' ' ASN . 42.2 t -134.32 76.25 1.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 108.306 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -36.97 -32.93 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.015 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 11' ' ' CYS . 7.5 t30 -44.34 -50.18 9.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -123.61 -36.84 0.62 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 11' ' ' CYS . . . 94.38 72.98 1.19 Allowed Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.458 ' CD2' ' HB2' ' A' ' 30' ' ' ARG . 47.9 m80 -154.4 164.75 38.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.458 0.74 . . . . 0.0 109.612 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.573 ' CD1' ' HB3' ' A' ' 8' ' ' LEU . 20.4 m-85 -107.73 143.21 36.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.435 HD21 ' CD1' ' A' ' 60' ' ' LEU . 14.3 tp -77.16 122.5 25.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.456 ' HB3' ' CG2' ' A' ' 37' ' ' ILE . 2.1 ptm180 -123.81 154.12 40.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.279 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 60.0 mt -124.48 114.79 42.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.46 HD12 ' CG2' ' A' ' 25' ' ' THR . 23.4 mt -75.3 156.84 85.38 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -2.79 13.0 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.496 1.787 . . . . 0.0 111.012 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -94.03 -15.08 25.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.74 40.32 2.74 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.46 ' CG2' HD12 ' A' ' 21' ' ' LEU . 5.9 m -120.6 147.78 44.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 0.75 . . . . 0.0 110.399 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.3 t -131.55 116.76 32.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -148.23 161.98 40.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.13 157.92 35.72 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.8 t -157.68 132.33 8.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 0.735 . . . . 0.0 110.382 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.458 ' HB2' ' CD2' ' A' ' 16' ' ' HIS . 18.2 ttt180 -105.65 48.54 0.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -140.05 98.42 3.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.16 -38.06 49.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 110.254 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.29 -35.92 0.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.995 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -57.37 135.65 56.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.574 1.171 . . . . 0.0 109.337 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -106.63 -5.22 18.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.331 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 27.8 m80 -89.29 -0.2 57.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.092 . . . . 0.0 109.584 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.456 ' CG2' ' HB3' ' A' ' 19' ' ' ARG . 14.7 pt -92.74 -22.39 5.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -60.91 89.78 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 110.312 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.468 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 80.6 mt -98.82 146.14 26.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.357 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.466 ' HG2' ' CG2' ' A' ' 54' ' ' THR . 0.3 OUTLIER -105.55 114.79 29.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.315 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.2 mp -93.48 136.39 33.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.7 m -137.8 160.12 40.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.999 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -119.92 124.56 46.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.413 ' HG2' ' OG ' ' A' ' 45' ' ' SER . 0.3 OUTLIER -100.64 -47.61 4.79 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 110.308 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.413 ' OG ' ' HG2' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -128.27 166.84 17.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.986 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.0 p -67.4 104.83 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.91 4.73 48.16 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.488 1.117 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -119.47 143.29 47.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 0.743 . . . . 0.0 110.267 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.7 m -139.56 150.77 22.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -118.99 132.32 56.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 11.2 mt -115.62 118.23 58.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.473 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -135.33 153.17 51.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.346 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.468 ' HA ' ' CD2' ' A' ' 39' ' ' LEU . 33.5 m -84.27 133.02 34.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.466 ' CG2' ' HG2' ' A' ' 40' ' ' GLN . 69.8 p -84.94 -27.53 26.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.406 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -76.65 -79.25 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.329 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 76.4 p -63.14 -53.32 55.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.393 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 120.41 -19.43 9.21 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.16 162.51 0.68 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 0.784 . . . . 0.0 110.266 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.473 ' CD1' ' HG2' ' A' ' 52' ' ' LYS . 10.1 m-30 -113.84 141.19 47.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.435 ' CD1' HD21 ' A' ' 18' ' ' LEU . 6.6 tp -76.91 113.02 14.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -140.09 148.21 41.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 42.5 ttm -106.81 117.16 33.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.955 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -69.93 -159.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 10.1 p -86.24 -28.24 23.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.412 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.502 ' CB ' ' CD1' ' A' ' 67' ' ' LEU . 48.1 m-20 -62.53 -12.56 23.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.42 ' HA3' ' CD ' ' A' ' 116' ' ' PRO . . . 86.38 8.07 78.43 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.48 1.113 . . . . 0.0 110.975 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.502 ' CD1' ' CB ' ' A' ' 65' ' ' ASP . 4.3 mp -96.94 171.49 8.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 0.74 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 36.4 mt -110.18 137.83 47.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.243 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.53 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 4.0 p90 -147.57 166.32 27.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 111.003 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -92.29 122.11 6.72 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.447 1.092 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.0 t -88.02 139.83 30.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 0.744 . . . . 0.0 110.039 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -71.57 -33.72 69.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.339 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.6 p -125.23 160.53 54.53 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 110.373 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 112.57 3.59 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.452 1.764 . . . . 0.0 110.95 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.405 ' O ' ' N ' ' A' ' 78' ' ' CYS . 5.0 m-20 -126.33 154.66 43.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -45.99 -26.66 0.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -61.61 -33.67 74.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.405 ' N ' ' O ' ' A' ' 75' ' ' ASN . 57.0 m -72.88 -16.67 61.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 108.291 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 8.8 tp -88.24 130.06 35.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.373 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -129.55 164.92 22.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.67 127.15 51.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -109.25 145.76 35.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.269 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -150.9 166.33 30.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.307 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -94.75 116.21 28.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.503 ' OE1' ' CD2' ' A' ' 126' ' ' LEU . 3.7 mt-10 -104.99 161.54 14.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 110.271 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -59.96 -179.83 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 38.2 m-20 60.05 16.84 6.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 56.13 66.16 1.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.612 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.458 ' CG ' ' HB3' ' A' ' 126' ' ' LEU . 13.4 m-85 -143.42 168.23 20.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.952 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -119.73 155.97 31.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.481 ' CG2' ' HG3' ' A' ' 85' ' ' GLU . 1.0 OUTLIER -125.9 162.21 25.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.403 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -145.72 132.72 20.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.164 . . . . 0.0 111.002 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.493 ' CD1' ' CE2' ' A' ' 103' ' ' PHE . 24.8 mt -136.28 138.25 47.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.6 t -58.4 138.28 56.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.983 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.406 ' C ' ' N ' ' A' ' 97' ' ' HIS . 2.2 tttt -78.05 -50.86 11.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.06 -25.31 0.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.547 ' CE1' ' CZ3' ' A' ' 102' ' ' TRP . 30.5 m-70 -105.38 -90.88 0.4 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.596 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 69.06 -63.24 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 97' ' ' HIS . 6.9 mt-10 -58.42 -17.02 17.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.138 . . . . 0.0 110.315 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.588 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 14.6 mttt -88.97 -7.77 55.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 45.8 64.4 1.47 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.588 ' CD1' ' O ' ' A' ' 100' ' ' LYS . 52.0 m0 -112.14 131.05 55.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 107.973 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.493 ' CE2' ' CD1' ' A' ' 93' ' ' ILE . 84.6 m-85 -112.65 146.89 37.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 73.6 t -61.29 -90.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.561 ' HA2' ' CE1' ' A' ' 127' ' ' PHE . . . 54.57 168.17 0.04 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.447 1.092 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.469 ' CD2' ' HA ' ' A' ' 112' ' ' CYS . 13.0 mt -137.6 129.36 28.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 0.765 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 111' ' ' SER . 2.6 mtmp? -52.11 -176.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -88.09 -8.1 55.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -89.34 8.97 27.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 74.51 20.1 79.67 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 107' ' ' LYS . 63.0 m -114.07 166.91 11.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.443 0.731 . . . . 0.0 110.006 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . 0.469 ' HA ' ' CD2' ' A' ' 106' ' ' LEU . 13.6 p -74.17 136.43 42.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 108.342 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 114' ' ' ARG . 0.6 OUTLIER -89.27 123.97 33.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.123 . . . . 0.0 109.306 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.442 ' CB ' ' HG3' ' A' ' 117' ' ' ARG . 0.9 OUTLIER -37.37 146.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.312 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . 0.465 ' C ' ' H ' ' A' ' 117' ' ' ARG . . . -66.56 -55.91 15.65 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.488 1.118 . . . . 0.0 110.976 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.42 ' CD ' ' HA3' ' A' ' 66' ' ' GLY . 18.3 Cg_endo -75.03 39.02 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.508 1.794 . . . . 0.0 110.991 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.465 ' H ' ' C ' ' A' ' 115' ' ' GLY . 7.2 mmt180 -142.93 17.64 1.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.28 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.437 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . 1.3 p -114.73 164.44 14.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.419 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -171.67 166.62 6.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.589 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -73.58 127.54 33.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 122.93 -19.78 7.76 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.439 1.087 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -79.83 148.61 31.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 0.754 . . . . 0.0 110.263 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 4.7 ttmm -90.38 18.65 5.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.418 ' HB2' ' ND2' ' A' ' 13' ' ' ASN . . . -94.96 -51.06 4.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.4 pt -55.09 -28.42 20.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.503 ' CD2' ' OE1' ' A' ' 85' ' ' GLU . 21.4 mt -64.98 105.38 1.02 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 109.347 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.561 ' CE1' ' HA2' ' A' ' 105' ' ' GLY . 0.6 OUTLIER -121.09 135.77 55.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.583 1.177 . . . . 0.0 110.983 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -119.84 113.78 34.34 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 112.51 3.58 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.537 1.809 . . . . 0.0 110.989 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.466 ' CD2' ' HB2' ' A' ' 10' ' ' TYR . 3.8 mm? -92.72 140.79 23.85 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 130' ' ' LEU . 18.1 Cg_endo -75.01 140.11 25.03 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.498 1.789 . . . . 0.0 110.942 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.474 ' HB ' ' CD2' ' A' ' 8' ' ' LEU . 5.2 p . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.564 1.165 . . . . 0.0 109.287 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.904 0 N-CA-C 111.016 -0.417 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.452 ' N ' ' CD ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -142.49 172.35 12.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.09 146.12 41.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -91.76 104.97 17.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.411 ' HB3' ' CB ' ' A' ' 128' ' ' LEU . 44.8 t80 -84.79 113.75 21.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 111.046 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.456 ' O ' ' N ' ' A' ' 15' ' ' GLY . 41.3 t -88.65 76.12 8.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 108.3 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 11' ' ' CYS . 15.3 p -35.6 -35.03 0.05 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.557 1.16 . . . . 0.0 109.977 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 11' ' ' CYS . 13.3 t-20 -42.48 -52.82 4.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -120.69 -36.18 0.8 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.47 1.106 . . . . 0.0 111.046 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 11' ' ' CYS . . . 97.33 74.03 1.17 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.422 ' ND1' ' C ' ' A' ' 15' ' ' GLY . 42.7 m80 -151.11 161.7 42.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 0.763 . . . . 0.0 109.6 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -105.51 142.69 34.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.419 HD22 ' CD1' ' A' ' 60' ' ' LEU . 8.6 tp -77.99 126.07 30.28 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.421 ' HB3' ' CG2' ' A' ' 37' ' ' ILE . 3.1 ptm180 -126.59 153.1 45.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 74.2 mt -124.75 118.7 54.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.466 HD13 ' CG2' ' A' ' 25' ' ' THR . 22.8 mt -80.79 157.01 72.35 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.576 1.172 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 -4.18 15.01 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.496 1.787 . . . . 0.0 110.97 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -91.17 -18.2 24.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 104.26 40.89 2.16 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.536 1.147 . . . . 0.0 111.037 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.466 ' CG2' HD13 ' A' ' 21' ' ' LEU . 5.2 m -119.93 147.24 44.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 0.749 . . . . 0.0 110.434 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.7 t -132.2 118.01 34.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.335 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -148.09 162.64 38.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.348 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -90.48 148.1 19.42 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 110.973 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 t -154.25 137.14 15.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 110.398 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.5 ttt-85 -109.44 53.94 0.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.268 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -136.66 86.39 2.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.153 . . . . 0.0 109.26 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.16 -32.85 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.8 t -41.52 -51.45 3.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 109.992 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.01 149.45 1.89 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -115.26 -13.01 11.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.281 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.566 ' CE1' ' HG2' ' A' ' 55' ' ' GLU . 34.3 m80 -76.77 -13.65 60.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.613 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.421 ' CG2' ' HB3' ' A' ' 19' ' ' ARG . 39.4 pt -76.64 -29.84 18.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -55.98 89.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 37' ' ' ILE . 32.0 mt -97.29 144.5 27.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.47 ' HB2' ' CG2' ' A' ' 54' ' ' THR . 0.0 OUTLIER -105.79 114.27 28.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.127 . . . . 0.0 110.313 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.454 ' N ' HD12 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -93.28 135.26 34.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.289 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.31 160.96 36.75 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 0.0 109.994 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -123.19 129.3 51.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.535 ' HG3' ' CD2' ' A' ' 50' ' ' TYR . 1.6 mt-10 -113.39 -52.01 2.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 110.3 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.76 163.24 21.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 109.989 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.6 p -61.89 115.65 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.36 18.65 61.99 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.554 1.158 . . . . 0.0 111.032 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -128.68 130.73 47.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 0.772 . . . . 0.0 110.301 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 25.0 m -136.05 150.06 27.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.278 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.535 ' CD2' ' HG3' ' A' ' 44' ' ' GLU . 1.0 OUTLIER -118.77 134.05 55.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 111.04 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.465 HD13 ' CD2' ' A' ' 60' ' ' LEU . 3.6 mt -114.5 107.38 22.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.429 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 6.7 mttt -119.13 152.2 36.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.12 130.06 35.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.027 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.47 ' CG2' ' HB2' ' A' ' 40' ' ' GLN . 82.8 p -90.99 11.81 21.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.408 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.566 ' HG2' ' CE1' ' A' ' 36' ' ' HIS . 43.7 tp10 -104.7 -61.17 1.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.343 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.439 ' OG1' ' N ' ' A' ' 57' ' ' GLY . 32.0 p -91.74 -64.36 1.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 110.392 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.439 ' N ' ' OG1' ' A' ' 56' ' ' THR . . . 125.74 42.23 0.32 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.447 1.092 . . . . 0.0 111.015 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -116.46 136.29 53.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 0.782 . . . . 0.0 110.242 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.429 ' CD1' ' HG2' ' A' ' 52' ' ' LYS . 58.1 m-85 -77.0 136.36 38.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.465 ' CD2' HD13 ' A' ' 51' ' ' ILE . 2.8 tp -77.76 112.87 15.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.259 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -137.92 154.25 49.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.425 ' HG3' ' N ' ' A' ' 63' ' ' ASP . 6.2 tpp -103.47 145.89 29.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.979 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.425 ' N ' ' HG3' ' A' ' 62' ' ' MET . 0.5 OUTLIER -97.42 163.1 13.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 61.8 p -50.64 -33.11 21.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.369 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.417 ' HB3' ' CD2' ' A' ' 67' ' ' LEU . 6.7 m-20 -60.89 -19.0 59.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.421 ' HA3' ' CD ' ' A' ' 116' ' ' PRO . . . 93.37 13.87 54.9 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.477 1.111 . . . . 0.0 110.964 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.417 ' CD2' ' HB3' ' A' ' 65' ' ' ASP . 0.6 OUTLIER -105.0 161.54 14.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 0.773 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.442 ' CD1' HG11 ' A' ' 104' ' ' VAL . 7.6 mt -97.44 142.44 29.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.512 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 4.0 p90 -147.81 155.4 41.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 111.031 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -76.81 111.5 3.29 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.87 127.17 34.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 0.782 . . . . 0.0 109.986 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -61.01 -54.49 44.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.2 p -104.56 156.46 35.85 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 110.414 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 116.48 4.59 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.471 1.774 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -125.63 156.37 39.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -48.31 -25.71 1.69 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.48 1.113 . . . . 0.0 110.301 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.531 ' HG2' ' HE2' ' A' ' 97' ' ' HIS . 36.7 mt-10 -64.76 -27.6 69.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.455 1.097 . . . . 0.0 110.321 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.405 ' SG ' ' CB ' ' A' ' 59' ' ' TYR . 48.0 m -77.46 -16.98 58.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 108.291 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.455 HD13 ' CE1' ' A' ' 50' ' ' TYR . 3.2 tp -87.93 117.2 26.62 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -116.45 165.17 13.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.963 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.5 mt -103.46 129.99 50.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.42 ' OE2' ' N ' ' A' ' 83' ' ' ARG . 2.7 tm-20 -108.62 150.12 27.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.42 ' N ' ' OE2' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -157.86 152.76 25.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.092 . . . . 0.0 110.342 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -95.76 128.88 43.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -98.33 159.11 15.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.316 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -72.42 88.16 1.19 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 173.68 -89.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 177.05 38.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.588 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.538 ' CE1' HD13 ' A' ' 128' ' ' LEU . 74.2 m-85 -139.52 171.96 13.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 111.017 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -125.97 156.69 39.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.462 ' CG2' HG13 ' A' ' 125' ' ' ILE . 1.2 p -126.92 144.26 51.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.374 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -126.6 132.56 51.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.52 ' CD1' ' CE2' ' A' ' 103' ' ' PHE . 43.5 mt -135.52 145.2 32.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 98' ' ' ALA . 1.6 t -71.59 138.81 49.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 110.01 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 18.4 tptm -73.98 -50.16 21.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.577 ' HB3' ' CD2' ' A' ' 97' ' ' HIS . 2.8 tttt -58.76 -17.13 20.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.247 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.577 ' CD2' ' HB3' ' A' ' 96' ' ' LYS . 0.1 OUTLIER -129.66 23.44 5.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.608 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 94' ' ' SER . . . -54.66 -52.67 61.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.31 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -60.89 -24.73 66.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 110.319 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.475 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 2.3 mtpt -73.5 -12.48 60.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 49.87 65.03 1.54 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.475 ' CD1' ' O ' ' A' ' 100' ' ' LYS . 48.0 m0 -111.61 131.16 55.46 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.52 ' CE2' ' CD1' ' A' ' 93' ' ' ILE . 89.3 m-85 -113.14 149.2 33.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.996 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.442 HG11 ' CD1' ' A' ' 68' ' ' LEU . 74.4 t -70.64 -89.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 104' ' ' VAL . . . 51.1 173.59 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.409 ' CD2' ' HA ' ' A' ' 112' ' ' CYS . 19.4 mt -138.16 131.45 30.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 0.748 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 111' ' ' SER . 5.7 mtpt -55.61 -167.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -90.18 -13.06 36.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -86.78 7.16 28.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 72.62 29.05 66.22 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.481 1.113 . . . . 0.0 111.054 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.466 ' O ' ' N ' ' A' ' 107' ' ' LYS . 0.4 OUTLIER -121.69 160.86 23.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 0.762 . . . . 0.0 109.981 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . 0.409 ' HA ' ' CD2' ' A' ' 106' ' ' LEU . 18.8 p -66.87 136.02 54.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 108.32 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 114' ' ' ARG . 4.0 tttp -89.5 125.62 35.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -37.75 139.68 0.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.339 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . 0.483 ' C ' ' H ' ' A' ' 117' ' ' ARG . . . -64.25 -55.85 21.29 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.421 ' CD ' ' HA3' ' A' ' 66' ' ' GLY . 18.2 Cg_endo -75.01 32.75 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.539 1.81 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.483 ' H ' ' C ' ' A' ' 115' ' ' GLY . 6.2 mmt180 -141.84 21.94 2.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.333 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.425 ' OG1' ' O ' ' A' ' 115' ' ' GLY . 1.5 p -119.82 159.27 24.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.449 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -164.62 166.8 19.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 109.596 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -71.46 132.59 44.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.972 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 120.99 -23.4 7.76 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.521 1.138 . . . . 0.0 110.967 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -76.12 149.09 37.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 0.755 . . . . 0.0 110.28 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.3 ttmm -91.86 26.46 2.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.25 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.407 ' HB1' ' ND2' ' A' ' 13' ' ' ASN . . . -102.02 -59.03 1.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.519 HG22 ' CG ' ' A' ' 103' ' ' PHE . 4.6 pt -46.4 -37.52 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 29.9 mt -62.01 114.06 3.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -119.99 140.38 51.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.538 HD13 ' CE1' ' A' ' 89' ' ' TYR . 0.4 OUTLIER -113.37 108.01 52.88 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.99 107.07 2.4 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.462 1.77 . . . . 0.0 111.037 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 64.4 mt -98.79 146.58 31.88 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.523 1.14 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 146.14 32.33 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.525 1.803 . . . . 0.0 110.963 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.846 0 N-CA-C 110.951 -0.442 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.34 167.8 21.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.157 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.422 ' CD1' ' HB ' ' A' ' 132' ' ' VAL . 2.0 mt -122.74 141.0 52.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -92.68 104.48 16.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -82.21 139.07 34.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.457 ' O ' ' N ' ' A' ' 15' ' ' GLY . 51.4 t -119.12 77.62 1.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 108.305 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 13' ' ' ASN . 41.1 t -37.9 -36.7 0.21 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.978 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 12' ' ' SER . 10.8 t30 -38.37 -65.67 0.33 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.147 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.554 ' O ' ' CE1' ' A' ' 16' ' ' HIS . . . -127.0 25.19 5.29 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.521 1.138 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 11' ' ' CYS . . . 42.46 71.13 0.41 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.059 -0.817 . . . . 0.0 111.059 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.554 ' CE1' ' O ' ' A' ' 14' ' ' GLY . 56.8 m80 -134.76 163.67 29.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 0.778 . . . . 0.0 109.563 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -117.21 140.89 48.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.546 1.154 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.1 tp -79.26 112.56 16.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.465 ' HB3' ' CG2' ' A' ' 37' ' ' ILE . 2.6 ptm180 -116.4 150.28 38.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 110.288 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.437 ' CD1' ' HB2' ' A' ' 60' ' ' LEU . 59.8 mt -124.12 109.83 23.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.445 HD22 ' CZ ' ' A' ' 19' ' ' ARG . 24.3 mt -76.7 157.34 82.17 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 0.18 9.21 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.488 1.783 . . . . 0.0 111.023 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -100.77 10.5 41.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.88 46.83 27.85 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.556 1.16 . . . . 0.0 111.016 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.5 m -126.68 143.86 51.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 0.732 . . . . 0.0 110.428 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.3 t -135.35 119.5 26.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.273 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -148.17 162.58 39.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -84.03 135.05 13.29 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.418 1.074 . . . . 0.0 110.993 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 t -136.98 136.56 38.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 0.745 . . . . 0.0 110.438 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -110.64 55.82 0.64 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.289 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -146.33 85.15 1.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 33' ' ' SER . 1.4 mpp_? -39.83 -37.99 0.62 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.348 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 32' ' ' ARG . 0.2 OUTLIER -39.15 -41.85 0.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.0 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -44.99 120.81 2.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -94.23 28.39 2.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.303 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 45.0 m80 -122.28 -41.95 2.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.647 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.465 ' CG2' ' HB3' ' A' ' 19' ' ' ARG . 44.3 pt -48.19 -26.89 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -52.99 89.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.333 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 37' ' ' ILE . 61.0 mt -101.72 143.34 31.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.472 ' HG2' ' CG2' ' A' ' 54' ' ' THR . 1.1 pt20 -105.31 114.8 29.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.36 136.23 33.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.9 m -139.87 160.46 39.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.986 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -122.27 125.02 45.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -110.11 -42.0 4.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.237 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.52 163.62 23.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.044 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 11.9 p -62.59 125.86 19.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.155 . . . . 0.0 109.254 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.51 4.56 65.46 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.478 1.111 . . . . 0.0 111.031 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -115.56 140.49 49.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.78 . . . . 0.0 110.303 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 25.5 m -137.01 161.33 35.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.428 1.08 . . . . 0.0 109.345 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.515 ' CE2' HD21 ' A' ' 79' ' ' LEU . 3.6 m-85 -127.67 137.21 52.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 5.7 mt -122.95 123.44 68.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.251 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.564 ' HD3' ' CE1' ' A' ' 59' ' ' TYR . 25.7 ttpt -140.98 150.91 43.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.19 129.35 34.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 110.04 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.472 ' CG2' ' HG2' ' A' ' 40' ' ' GLN . 40.1 p -83.6 -1.57 54.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.138 . . . . 0.0 110.42 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -99.15 -58.93 1.82 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.292 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 39.9 p -82.46 -52.12 7.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 110.424 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 105.24 46.06 1.28 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.491 1.119 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -127.8 136.62 51.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 0.799 . . . . 0.0 110.313 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.564 ' CE1' ' HD3' ' A' ' 52' ' ' LYS . 21.3 m-85 -80.61 141.13 35.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.437 ' HB2' ' CD1' ' A' ' 20' ' ' ILE . 4.2 tp -77.19 115.87 17.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -132.45 153.56 50.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 14.4 tpp -106.44 135.98 47.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 110.993 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.517 ' CG ' ' CE2' ' A' ' 69' ' ' TYR . 1.0 OUTLIER -90.51 -171.83 3.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 0.0 109.274 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.9 p -80.59 -28.32 37.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.37 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.452 ' CB ' HD23 ' A' ' 67' ' ' LEU . 5.2 m-20 -67.44 -9.65 43.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.54 -2.24 84.58 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.539 1.15 . . . . 0.0 111.002 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.452 HD23 ' CB ' ' A' ' 65' ' ' ASP . 0.6 OUTLIER -85.94 155.72 20.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 0.0 109.315 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 14.9 mt -96.3 140.43 30.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.555 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 2.8 p90 -148.37 150.84 34.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -88.68 127.64 8.72 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.509 1.131 . . . . 0.0 110.946 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.7 t -93.7 139.61 30.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 0.741 . . . . 0.0 110.017 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -63.63 -37.32 86.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.305 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.3 p -119.83 158.92 48.62 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.355 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 112.28 3.52 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.458 1.767 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -125.64 157.16 37.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.252 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -49.45 -32.71 12.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -61.1 -17.29 51.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.283 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 7.3 m -95.26 -18.86 20.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 108.312 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.515 HD21 ' CE2' ' A' ' 50' ' ' TYR . 2.5 tp -83.02 119.55 24.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -117.01 165.35 13.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.9 mt -103.37 125.1 49.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -109.21 149.13 29.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.24 147.31 20.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.8 tt -92.3 108.05 19.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 109.343 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -105.53 165.37 11.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.312 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -52.99 176.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.275 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 73.88 4.55 4.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 54.45 62.42 2.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.611 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.573 ' CD2' ' HB3' ' A' ' 126' ' ' LEU . 0.8 OUTLIER -144.69 158.77 43.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 111.031 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -111.79 148.08 34.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 22.5 p -131.07 159.68 36.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.423 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -141.52 134.06 28.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 111.058 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.545 HD12 ' CE2' ' A' ' 103' ' ' PHE . 51.3 mt -135.49 143.29 37.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.286 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.97 138.37 57.21 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.47 1.107 . . . . 0.0 110.004 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 25.6 tttt -69.4 -58.36 4.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.584 ' HB3' ' CD2' ' A' ' 97' ' ' HIS . 24.1 tttt -57.36 -24.52 55.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.585 ' CD2' ' N ' ' A' ' 97' ' ' HIS . 0.1 OUTLIER -121.93 44.73 2.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.614 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -78.06 -44.4 26.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 109.335 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -68.62 -21.01 64.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.322 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.543 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 3.1 mtpt -74.7 -11.65 60.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 51.3 63.74 2.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.543 ' CD1' ' O ' ' A' ' 100' ' ' LYS . 46.7 m0 -113.3 131.98 55.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 107.99 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.567 ' CD2' ' HB ' ' A' ' 125' ' ' ILE . 88.4 m-85 -112.78 148.77 34.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.498 ' O ' ' C ' ' A' ' 105' ' ' GLY . 40.6 t -72.63 -25.95 23.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.583 ' HA2' ' CE1' ' A' ' 127' ' ' PHE . . . -29.87 143.73 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.487 1.117 . . . . 0.0 111.02 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -106.84 149.95 26.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.778 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 111' ' ' SER . 1.1 mtpt -55.17 -171.18 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.84 -9.39 18.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.093 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -92.87 25.21 3.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 64.0 39.78 97.59 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.512 1.132 . . . . 0.0 111.053 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.49 ' O ' ' N ' ' A' ' 107' ' ' LYS . 49.3 m -135.52 166.08 24.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 0.758 . . . . 0.0 110.011 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 19.4 p -82.22 135.65 35.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 108.302 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 114' ' ' ARG . 7.5 tttt -90.22 107.53 19.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -36.78 142.49 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 110.278 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . 0.46 ' C ' ' H ' ' A' ' 117' ' ' ARG . . . -50.07 -59.99 7.03 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.471 1.107 . . . . 0.0 111.034 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.405 ' O ' ' HG2' ' A' ' 117' ' ' ARG . 18.2 Cg_endo -75.0 38.05 0.51 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.506 1.792 . . . . 0.0 111.004 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.46 ' H ' ' C ' ' A' ' 115' ' ' GLY . 2.7 mtt-85 -144.39 17.0 1.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.274 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.7 p -118.29 166.48 12.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.4 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -175.36 -176.01 0.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.587 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -86.49 142.59 28.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 111.3 -20.01 23.87 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -85.49 154.68 21.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 0.774 . . . . 0.0 110.303 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.07 16.54 16.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.415 ' HB3' ' ND2' ' A' ' 13' ' ' ASN . . . -94.1 -45.17 7.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.567 ' HB ' ' CD2' ' A' ' 103' ' ' PHE . 1.8 pt -65.79 -25.66 36.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.098 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.573 ' HB3' ' CD2' ' A' ' 89' ' ' TYR . 47.7 mt -73.65 108.03 6.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.583 ' CE1' ' HA2' ' A' ' 105' ' ' GLY . 1.7 m-30 -119.38 141.68 48.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.963 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.404 ' CD1' ' HA ' ' A' ' 89' ' ' TYR . 5.9 tp -127.81 126.63 23.92 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 117.22 4.83 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.46 1.768 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.414 ' HA ' ' HD3' ' A' ' 131' ' ' PRO . 35.9 mt -100.54 133.59 21.19 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 130' ' ' LEU . 18.1 Cg_endo -74.96 132.26 15.27 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.518 1.799 . . . . 0.0 111.001 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.422 ' HB ' ' CD1' ' A' ' 8' ' ' LEU . 6.1 p . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.917 0 N-CA-C 110.982 -0.43 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.5 mtmt -142.49 155.02 45.01 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.436 HD23 ' CD1' ' A' ' 37' ' ' ILE . 1.0 OUTLIER -103.56 139.91 38.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.571 ' HB3' ' CD2' ' A' ' 127' ' ' PHE . 1.9 mm? -91.63 115.04 27.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.255 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.516 ' O ' ' CD1' ' A' ' 127' ' ' PHE . 17.8 t80 -84.32 141.52 30.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 15' ' ' GLY . 20.9 t -116.4 70.86 0.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 108.339 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 11' ' ' CYS . 5.2 p -35.85 -35.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.001 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' A' ' 11' ' ' CYS . 14.2 t30 -42.24 -48.65 4.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -124.93 -38.4 0.5 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 11' ' ' CYS . . . 103.23 58.94 0.73 Allowed Glycine 0 CA--C 1.531 1.031 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.416 ' CD2' ' HG2' ' A' ' 30' ' ' ARG . 14.9 m80 -135.48 167.07 21.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 0.761 . . . . 0.0 109.639 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -110.41 142.05 42.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.7 tp -78.51 114.25 17.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.441 ' HB3' ' CG2' ' A' ' 37' ' ' ILE . 4.6 ptm180 -117.54 154.48 31.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.298 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.447 ' CD1' ' HB2' ' A' ' 60' ' ' LEU . 6.0 mt -124.5 117.08 49.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.467 HD11 ' CG2' ' A' ' 25' ' ' THR . 23.8 mt -82.21 157.61 67.99 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.439 ' CB ' HG23 ' A' ' 56' ' ' THR . 18.5 Cg_endo -74.97 -1.44 11.22 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.542 1.811 . . . . 0.0 111.019 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.96 6.72 47.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.23 40.86 27.91 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.558 1.161 . . . . 0.0 110.982 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.467 ' CG2' HD11 ' A' ' 21' ' ' LEU . 2.2 m -122.41 146.62 47.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 0.762 . . . . 0.0 110.441 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.3 t -129.72 121.11 51.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -144.75 161.92 38.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.09 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -90.67 138.46 14.41 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.499 1.124 . . . . 0.0 110.984 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.449 HG21 ' CG2' ' A' ' 37' ' ' ILE . 1.7 t -140.5 145.27 36.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 0.785 . . . . 0.0 110.37 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.416 ' HG2' ' CD2' ' A' ' 16' ' ' HIS . 1.3 ptt85 -117.99 36.49 4.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.3 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -121.37 87.39 2.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -40.65 -34.27 0.35 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.331 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.95 -49.68 3.26 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 110.038 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -48.07 136.37 11.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -102.13 -19.37 15.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.262 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.556 ' CD2' ' HG2' ' A' ' 55' ' ' GLU . 35.5 m80 -67.1 -33.4 75.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.586 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.449 ' CG2' HG21 ' A' ' 29' ' ' THR . 37.4 pt -56.55 -33.01 38.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -53.64 94.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.554 1.159 . . . . 0.0 110.291 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 35.2 mt -102.45 146.4 28.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.407 ' HB2' ' CG2' ' A' ' 54' ' ' THR . 0.0 OUTLIER -105.88 114.34 28.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.316 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.451 HD13 ' N ' ' A' ' 41' ' ' LEU . 0.1 OUTLIER -91.0 136.56 32.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 109.299 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.6 m -134.45 160.02 39.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.965 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -123.54 130.28 52.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.626 ' CD ' ' CE2' ' A' ' 50' ' ' TYR . 44.3 mt-10 -117.69 -49.37 2.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.305 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.68 160.41 30.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 109.972 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 97.9 t -58.01 127.54 17.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.06 32.47 73.04 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.478 1.111 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.402 ' HB3' ' CD1' ' A' ' 79' ' ' LEU . 11.2 mt-10 -140.53 137.09 33.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 0.782 . . . . 0.0 110.302 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.1 m -142.34 151.77 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.626 ' CE2' ' CD ' ' A' ' 44' ' ' GLU . 5.2 m-85 -116.38 132.63 56.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.96 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.6 mt -115.96 107.3 22.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.424 ' HG2' ' N ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -132.05 145.0 51.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.335 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.424 ' N ' ' HG2' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -82.81 137.21 34.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.964 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.407 ' CG2' ' HB2' ' A' ' 40' ' ' GLN . 9.6 p -96.2 -4.92 41.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.387 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.556 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 25.3 tp10 -85.24 -65.57 0.99 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 110.336 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.439 HG23 ' CB ' ' A' ' 22' ' ' PRO . 71.5 p -78.13 -64.81 1.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 110.398 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 127.39 46.13 0.2 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.483 1.114 . . . . 0.0 110.97 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -129.05 162.11 28.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 0.793 . . . . 0.0 110.286 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.468 ' CD1' ' N ' ' A' ' 59' ' ' TYR . 1.7 m-30 -111.6 138.89 47.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 111.036 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.447 ' HB2' ' CD1' ' A' ' 20' ' ' ILE . 2.7 tp -77.32 118.31 19.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -136.53 149.23 48.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 55.6 ttm -104.09 117.62 34.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 111.02 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.62 -162.98 0.29 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 72.4 p -87.14 -18.4 30.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.367 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -66.64 -22.61 66.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 99.76 -7.94 59.53 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.421 HD11 ' N ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -91.98 170.06 10.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 0.777 . . . . 0.0 109.276 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.407 ' CD1' HG12 ' A' ' 104' ' ' VAL . 3.4 mt -103.79 144.69 31.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.541 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 3.4 p90 -148.62 163.87 35.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -91.65 125.63 8.13 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.518 1.136 . . . . 0.0 111.019 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.7 t -92.38 140.01 30.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 0.769 . . . . 0.0 109.987 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -75.56 -32.03 60.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.5 p -120.79 156.82 55.94 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.389 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 108.99 2.84 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.521 1.801 . . . . 0.0 110.995 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 44.2 m-20 -127.04 154.84 44.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -47.3 -28.27 1.91 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 110.318 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -60.14 -25.15 65.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.303 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 33.4 m -82.45 -21.27 35.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 108.295 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.552 HD11 ' CD2' ' A' ' 50' ' ' TYR . 10.1 tp -86.51 127.94 34.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -124.3 163.75 21.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 111.003 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.441 ' CD2' ' N ' ' A' ' 81' ' ' LEU . 0.1 OUTLIER -104.01 125.49 50.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.411 ' OE1' ' N ' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -108.57 148.81 29.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.312 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.411 ' N ' ' OE1' ' A' ' 82' ' ' GLU . 0.4 OUTLIER -148.31 166.25 28.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.287 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.409 HD12 ' N ' ' A' ' 85' ' ' GLU . 0.1 OUTLIER -107.52 127.93 54.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.409 ' N ' HD12 ' A' ' 84' ' ' LEU . 2.8 mm-40 -103.25 164.77 11.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 110.297 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -86.11 49.78 1.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 110.318 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -152.82 26.19 0.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 53.04 33.83 15.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.576 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.444 ' CE1' HD11 ' A' ' 128' ' ' LEU . 3.1 m-85 -133.57 153.79 51.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.955 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -114.85 156.82 24.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 72.5 p -124.69 166.88 15.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.381 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -147.06 132.69 18.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 111.012 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.527 HD13 ' CE2' ' A' ' 103' ' ' PHE . 61.0 mt -130.93 147.96 33.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 98' ' ' ALA . 40.7 t -76.48 138.05 40.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.006 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.402 ' C ' ' N ' ' A' ' 97' ' ' HIS . 0.1 OUTLIER -62.74 -74.16 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.561 ' HB3' ' CD2' ' A' ' 97' ' ' HIS . 1.1 tttt -44.48 -28.46 0.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.26 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.561 ' CD2' ' HB3' ' A' ' 96' ' ' LYS . 0.2 OUTLIER -122.44 52.11 1.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.616 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 94' ' ' SER . . . -97.9 -31.04 12.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -72.98 -24.04 60.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.326 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.592 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 2.4 mttt -79.81 1.23 27.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.242 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 45.78 64.78 1.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.323 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.592 ' CD1' ' O ' ' A' ' 100' ' ' LYS . 50.8 m0 -112.29 133.14 54.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 108.015 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.527 ' CE2' HD13 ' A' ' 93' ' ' ILE . 92.1 m-85 -112.73 148.7 34.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.417 HG11 ' N ' ' A' ' 105' ' ' GLY . 70.0 t -63.51 -95.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.575 ' HA2' ' CE1' ' A' ' 127' ' ' PHE . . . 53.49 169.89 0.03 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.483 ' CD2' ' HA ' ' A' ' 112' ' ' CYS . 2.1 mt -137.14 132.9 34.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 0.785 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 111' ' ' SER . 44.7 mttt -50.83 179.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.76 -6.19 59.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -88.77 8.99 26.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 71.54 38.44 61.78 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.525 1.141 . . . . 0.0 111.028 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 107' ' ' LYS . 42.5 p -136.27 166.75 22.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 0.791 . . . . 0.0 109.986 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . 0.483 ' HA ' ' CD2' ' A' ' 106' ' ' LEU . 58.7 m -67.38 134.82 52.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 108.312 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.444 ' CE ' ' CB ' ' A' ' 124' ' ' ALA . 17.9 ttpp -90.88 126.92 36.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -37.67 153.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.321 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . 0.53 ' N ' ' CD ' ' A' ' 116' ' ' PRO . . . -79.35 -49.34 6.3 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.527 1.142 . . . . 0.0 111.026 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.561 ' HA ' ' CD1' ' A' ' 102' ' ' TRP . 18.3 Cg_endo -75.01 4.92 4.32 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.476 1.777 . . . . 0.0 111.007 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 3.2 mmt-85 -115.96 40.8 2.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.326 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.434 ' HA ' ' NZ ' ' A' ' 113' ' ' LYS . 16.6 p -126.63 167.12 16.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.367 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 -163.89 -179.06 6.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.599 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.403 ' CE1' ' HZ ' ' A' ' 103' ' ' PHE . 71.2 m-85 -94.39 137.89 32.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 111.031 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 102.9 -6.97 52.31 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.453 1.095 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -80.21 161.2 25.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 0.773 . . . . 0.0 110.288 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.39 8.57 42.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.444 ' CB ' ' CE ' ' A' ' 113' ' ' LYS . . . -91.37 -50.39 5.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.246 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.524 ' HB ' ' CD2' ' A' ' 103' ' ' PHE . 1.0 OUTLIER -64.87 -25.25 37.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 84.5 mt -74.19 106.83 6.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.575 ' CE1' ' HA2' ' A' ' 105' ' ' GLY . 0.7 OUTLIER -122.94 145.81 48.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 111.025 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.502 ' O ' ' CD2' ' A' ' 130' ' ' LEU . 0.6 OUTLIER -127.64 117.73 21.18 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 118.67 5.34 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.504 1.791 . . . . 0.0 111.005 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.502 ' CD2' ' O ' ' A' ' 128' ' ' LEU . 3.9 mm? -100.23 149.14 35.78 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 141.24 26.33 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.498 1.788 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.906 0 N-CA-C 110.977 -0.432 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.461 ' CB ' ' O ' ' A' ' 130' ' ' LEU . 0.0 OUTLIER -144.91 170.49 16.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.63 ' CB ' ' CD1' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -110.16 148.27 32.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.575 ' HB3' ' CE1' ' A' ' 127' ' ' PHE . 2.5 mp -92.06 104.08 16.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -72.64 101.92 3.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 111.0 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 15' ' ' GLY . 42.5 t -79.92 70.48 6.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 108.231 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 11' ' ' CYS . 78.7 p -36.35 -33.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.122 . . . . 0.0 110.019 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 11' ' ' CYS . 6.7 t30 -40.46 -50.38 2.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.614 ' O ' ' CE1' ' A' ' 16' ' ' HIS . . . -141.93 13.46 2.62 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.503 1.127 . . . . 0.0 110.969 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.517 ' O ' ' CG ' ' A' ' 16' ' ' HIS . . . 57.21 91.59 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.614 ' CE1' ' O ' ' A' ' 14' ' ' GLY . 52.3 m80 -158.65 160.99 37.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.449 0.735 . . . . 0.0 109.611 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.63 ' CD1' ' CB ' ' A' ' 8' ' ' LEU . 16.9 m-85 -109.54 142.07 41.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 0.0 111.006 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.9 tp -79.21 112.79 16.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.433 ' HB3' ' CG2' ' A' ' 37' ' ' ILE . 2.0 ptm180 -117.68 151.8 36.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 110.289 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.2 mt -124.85 116.68 47.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.475 HD12 ' CG2' ' A' ' 25' ' ' THR . 26.5 mt -78.63 157.51 77.02 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.13 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.44 ' CA ' HG21 ' A' ' 56' ' ' THR . 18.3 Cg_endo -75.01 -4.04 14.82 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.495 1.787 . . . . 0.0 111.025 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.09 6.92 47.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.74 46.82 10.61 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.527 1.142 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.475 ' CG2' HD12 ' A' ' 21' ' ' LEU . 1.2 m -126.6 147.51 49.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 110.364 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.3 t -130.37 120.83 49.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -147.91 161.44 41.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -89.88 153.57 23.17 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.545 1.153 . . . . 0.0 111.006 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.6 t -162.37 125.2 2.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 0.742 . . . . 0.0 110.386 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.48 54.46 1.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -143.18 86.3 1.9 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.265 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.462 ' O ' ' C ' ' A' ' 33' ' ' SER . 1.2 mpp_? -41.13 -41.62 1.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.462 ' C ' ' O ' ' A' ' 32' ' ' ARG . 0.3 OUTLIER -34.47 -36.71 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.979 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 32' ' ' ARG . 0.4 OUTLIER -57.7 132.38 53.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.256 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -104.1 21.17 16.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 36.4 m80 -120.48 14.34 11.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.65 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.433 ' CG2' ' HB3' ' A' ' 19' ' ' ARG . 15.7 pt -102.87 -35.63 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -46.68 97.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.429 HD12 ' CG2' ' A' ' 51' ' ' ILE . 15.2 mt -103.78 146.74 28.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.436 ' HG3' ' CG2' ' A' ' 54' ' ' THR . 0.0 OUTLIER -105.75 119.95 40.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 0.0 110.296 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.05 136.27 39.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.9 m -137.26 158.83 43.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.002 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -122.4 124.44 43.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.437 ' CG ' ' CD2' ' A' ' 50' ' ' TYR . 3.8 mm-40 -104.48 -52.64 2.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.091 . . . . 0.0 110.336 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -128.22 162.66 26.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.007 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.4 p -57.92 122.42 7.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 109.267 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.73 16.28 79.4 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.546 1.154 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -127.11 133.48 50.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 0.751 . . . . 0.0 110.312 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.0 m -140.8 147.52 22.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.437 ' CD2' ' CG ' ' A' ' 44' ' ' GLU . 0.7 OUTLIER -115.67 145.32 42.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.997 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.429 ' CG2' HD12 ' A' ' 39' ' ' LEU . 8.0 mt -126.43 113.19 32.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.406 ' HG2' ' N ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -131.79 143.03 49.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.41 ' HA ' ' CD2' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -78.32 136.65 37.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.038 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.497 ' N ' ' OE2' ' A' ' 55' ' ' GLU . 79.4 p -94.77 19.55 9.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.418 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.497 ' OE2' ' N ' ' A' ' 54' ' ' THR . 1.1 pm0 -112.76 -63.31 1.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.44 HG21 ' CA ' ' A' ' 22' ' ' PRO . 13.9 p -88.1 -46.87 8.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.356 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 108.0 38.69 1.96 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.502 1.126 . . . . 0.0 110.994 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -111.88 144.91 40.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 0.774 . . . . 0.0 110.3 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 5.2 m-30 -92.99 139.83 30.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.9 tp -77.0 117.29 18.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -139.14 150.84 46.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 109.243 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 51.2 ttm -104.18 120.58 41.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 110.953 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -71.74 -179.49 2.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 37.9 p -78.32 -6.05 53.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.41 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.46 -16.3 40.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.347 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 99.23 -9.91 61.39 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.1 157.72 19.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 0.755 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.415 HD11 ' CB ' ' A' ' 112' ' ' CYS . 5.3 mt -96.37 144.4 26.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.557 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 1.8 p90 -153.18 160.76 42.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -89.09 122.55 6.47 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.482 1.114 . . . . 0.0 110.98 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.6 t -86.73 139.86 30.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 0.0 110.001 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -70.52 -34.44 72.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.9 p -121.77 158.35 54.68 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.402 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 112.25 3.52 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.51 1.795 . . . . 0.0 111.013 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -126.98 154.46 44.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.337 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -48.7 -23.76 1.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.434 1.084 . . . . 0.0 110.277 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -64.95 -24.0 67.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.157 . . . . 0.0 110.266 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 32.4 m -82.78 -16.47 47.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 108.263 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.401 HD13 ' CE1' ' A' ' 50' ' ' TYR . 3.2 tp -87.37 129.31 35.07 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -128.53 164.43 22.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 111.037 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -104.13 131.38 51.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.2 145.36 35.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.331 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -147.78 163.9 35.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.76 127.52 49.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -97.95 164.45 12.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.312 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -89.11 40.59 0.99 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 110.335 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -143.61 19.6 1.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.466 ' O ' ' CD1' ' A' ' 128' ' ' LEU . 0.8 OUTLIER 62.27 21.83 12.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.559 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.453 ' CG ' ' HB3' ' A' ' 126' ' ' LEU . 4.3 m-85 -117.34 160.98 20.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -114.7 156.47 24.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -131.54 156.69 45.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 110.358 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -140.39 132.84 28.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 110.988 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.446 HD12 ' CE2' ' A' ' 103' ' ' PHE . 59.0 mt -130.74 141.62 45.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.61 138.93 56.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.013 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -66.42 -66.5 0.54 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.471 ' HB3' ' CD2' ' A' ' 97' ' ' HIS . 15.7 mttt -48.14 -27.41 2.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.345 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.519 ' CD2' ' N ' ' A' ' 97' ' ' HIS . 0.5 OUTLIER -122.96 52.02 1.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.632 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -91.41 -37.49 13.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.097 . . . . 0.0 109.253 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -72.51 -19.18 61.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.311 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.473 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 3.3 mtpt -81.66 -2.73 51.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 48.14 64.88 1.48 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.473 ' CD1' ' O ' ' A' ' 100' ' ' LYS . 46.9 m0 -111.67 131.89 54.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 107.981 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.446 ' CE2' HD12 ' A' ' 93' ' ' ILE . 86.0 m-85 -114.99 146.34 41.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.42 HG11 ' N ' ' A' ' 105' ' ' GLY . 79.6 t -64.81 -91.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.42 ' N ' HG11 ' A' ' 104' ' ' VAL . . . 53.01 169.2 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.532 1.145 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.412 ' CD2' ' HA ' ' A' ' 112' ' ' CYS . 3.5 mt -138.55 135.53 35.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 0.781 . . . . 0.0 109.292 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 111' ' ' SER . 6.4 mttt -53.62 -173.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -88.98 -6.94 56.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -91.74 7.17 43.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 73.96 36.78 51.45 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.46 1.1 . . . . 0.0 111.017 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 107' ' ' LYS . 3.6 m -128.18 165.75 19.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 0.785 . . . . 0.0 110.013 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . 0.415 ' CB ' HD11 ' A' ' 68' ' ' LEU . 24.4 p -73.52 135.01 43.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 108.336 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.41 ' HE3' ' CG2' ' A' ' 118' ' ' THR . 30.8 ttpt -90.93 129.37 36.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 113' ' ' LYS . 0.6 OUTLIER -38.15 150.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . 0.578 ' N ' ' CD ' ' A' ' 116' ' ' PRO . . . -78.85 -46.54 8.39 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 115' ' ' GLY . 18.1 Cg_endo -75.03 3.43 5.64 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.474 1.776 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -119.1 44.04 2.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.142 . . . . 0.0 110.256 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.41 ' CG2' ' HE3' ' A' ' 113' ' ' LYS . 16.5 p -124.5 166.94 15.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.433 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -174.15 177.76 2.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.585 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -91.32 123.67 34.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 130.4 -17.01 5.37 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.464 1.103 . . . . 0.0 111.052 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -85.62 147.68 26.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 0.772 . . . . 0.0 110.305 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.405 ' C ' ' OD1' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -92.45 26.83 2.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -102.39 -46.16 4.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.401 HG22 ' CG ' ' A' ' 103' ' ' PHE . 6.9 pt -63.7 -28.06 44.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.453 ' HB3' ' CG ' ' A' ' 89' ' ' TYR . 19.8 mt -70.87 134.44 47.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.575 ' CE1' ' HB3' ' A' ' 9' ' ' LEU . 0.5 OUTLIER -137.59 154.43 49.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.961 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.491 ' O ' ' CD2' ' A' ' 130' ' ' LEU . 4.9 tp -134.24 109.14 11.46 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 122.7 7.37 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.556 1.819 . . . . 0.0 110.986 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.491 ' CD2' ' O ' ' A' ' 128' ' ' LEU . 3.8 mm? -103.06 140.0 20.64 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 103.91 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.477 1.778 . . . . 0.0 111.022 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 2.5 p . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.841 0 N-CA-C 110.973 -0.433 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.9 mttm -144.64 152.92 41.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.514 ' CD2' ' HB ' ' A' ' 132' ' ' VAL . 0.3 OUTLIER -114.07 151.13 32.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.288 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.552 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 1.9 mm? -95.96 129.12 43.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -100.73 120.35 39.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 111.01 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 12' ' ' SER . 49.1 t -103.9 72.51 1.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 108.282 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 11' ' ' CYS . 1.9 t -35.61 -38.01 0.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.11 . . . . 0.0 110.012 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' A' ' 12' ' ' SER . 41.6 t30 -38.44 -56.93 1.2 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -117.08 -35.07 1.15 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.538 1.149 . . . . 0.0 111.018 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 11' ' ' CYS . . . 96.77 50.34 1.82 Allowed Glycine 0 CA--C 1.53 1.031 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.589 ' HE2' HH21 ' A' ' 30' ' ' ARG . 23.4 m80 -120.31 149.98 41.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 0.771 . . . . 0.0 109.577 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.586 ' CE2' ' HG3' ' A' ' 32' ' ' ARG . 3.7 m-85 -96.55 139.79 32.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 111.024 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.6 tp -79.1 114.99 18.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.445 ' HB3' ' CG2' ' A' ' 37' ' ' ILE . 5.5 ptm180 -125.64 154.62 42.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.578 1.174 . . . . 0.0 110.302 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 56.0 mt -124.16 121.66 62.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.142 . . . . 0.0 109.302 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.452 HD13 ' CG2' ' A' ' 25' ' ' THR . 28.4 mt -86.08 157.63 56.62 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 0.36 9.02 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.523 1.801 . . . . 0.0 110.983 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.71 -0.34 40.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.339 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.23 43.05 7.67 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.447 1.092 . . . . 0.0 110.956 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.452 ' CG2' HD13 ' A' ' 21' ' ' LEU . 2.4 m -126.84 147.28 50.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 0.772 . . . . 0.0 110.389 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.2 t -135.62 122.97 35.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER -146.23 162.92 37.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -89.16 140.16 15.59 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.479 1.112 . . . . 0.0 111.047 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.1 t -136.6 162.44 33.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 0.75 . . . . 0.0 110.427 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.589 HH21 ' HE2' ' A' ' 16' ' ' HIS . 78.9 mtt180 -123.16 42.08 3.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 33' ' ' SER . 4.7 t0 -133.05 70.9 1.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.586 ' HG3' ' CE2' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -38.03 -31.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.31 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 31' ' ' ASP . 0.3 OUTLIER -46.77 -38.28 9.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.0 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -43.8 143.63 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -102.6 -25.51 13.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.281 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 54.7 m80 -65.24 -31.47 72.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.618 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.445 ' CG2' ' HB3' ' A' ' 19' ' ' ARG . 44.3 pt -59.85 -36.21 65.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -46.78 95.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.277 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 37' ' ' ILE . 37.7 mt -106.32 140.84 38.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.462 ' HG2' ' CG2' ' A' ' 54' ' ' THR . 0.0 OUTLIER -104.99 114.56 28.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.128 . . . . 0.0 110.35 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.423 ' N ' HD12 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -91.83 135.99 33.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.5 m -133.34 161.02 35.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 110.026 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -120.37 129.47 53.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.414 ' CG ' ' CD2' ' A' ' 50' ' ' TYR . 4.2 mm-40 -112.2 -52.66 2.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.7 165.63 20.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.98 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.8 p -60.05 121.27 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.65 23.96 68.7 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.532 1.145 . . . . 0.0 110.971 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -133.64 133.31 41.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 0.781 . . . . 0.0 110.318 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 6.2 m -140.91 148.45 21.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.157 . . . . 0.0 109.329 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.42 ' CE1' HD11 ' A' ' 79' ' ' LEU . 0.9 OUTLIER -116.32 131.98 56.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 111.009 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.5 mt -117.69 113.22 41.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -133.86 152.8 51.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.89 137.26 37.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.462 ' CG2' ' HG2' ' A' ' 40' ' ' GLN . 71.5 p -88.31 -10.05 50.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.465 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.43 -73.93 0.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 110.274 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 82.2 p -69.41 -66.24 0.61 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.45 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 122.82 47.55 0.26 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.477 1.111 . . . . 0.0 110.998 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -125.03 136.11 53.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 0.732 . . . . 0.0 110.315 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -79.7 144.15 33.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 0.0 111.003 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.7 tp -77.37 119.41 20.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -138.35 147.77 43.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.133 . . . . 0.0 109.254 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 31.6 ttm -104.21 116.3 31.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 111.029 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.59 ' OD2' ' CD2' ' A' ' 69' ' ' TYR . 1.0 OUTLIER -66.9 -171.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 61.5 p -83.06 -15.35 51.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.403 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.463 ' HB3' ' CD2' ' A' ' 67' ' ' LEU . 4.3 m-20 -77.88 -8.56 58.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.7 -13.67 65.09 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.486 1.116 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.463 ' CD2' ' HB3' ' A' ' 65' ' ' ASP . 0.3 OUTLIER -78.83 156.48 28.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 0.753 . . . . 0.0 109.321 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.8 mt -95.84 142.18 28.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.267 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.59 ' CD2' ' OD2' ' A' ' 63' ' ' ASP . 1.5 p90 -151.68 155.03 37.5 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -88.21 128.22 8.96 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.1 t -92.01 139.99 30.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 0.742 . . . . 0.0 109.999 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -62.3 -37.62 86.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.309 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.4 p -123.48 160.25 51.51 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.378 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 111.14 3.26 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.523 1.801 . . . . 0.0 111.029 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 65.4 m-80 -123.53 157.21 34.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.308 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -50.87 -24.57 3.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 110.287 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -69.14 -11.01 60.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 34.7 m -97.64 -15.04 20.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 108.337 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.42 HD11 ' CE1' ' A' ' 50' ' ' TYR . 3.4 tp -84.89 122.91 29.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -124.4 164.36 19.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.24 128.02 51.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.414 ' HG2' ' N ' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -109.15 143.91 37.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 110.304 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.414 ' N ' ' HG2' ' A' ' 82' ' ' GLU . 0.1 OUTLIER -142.95 165.73 26.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.348 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.48 113.81 25.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.474 ' HG3' ' CG2' ' A' ' 91' ' ' THR . 2.4 mm-40 -102.72 165.44 11.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.34 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -66.54 178.8 1.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.358 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.402 ' HB3' ' CE2' ' A' ' 89' ' ' TYR . 25.6 m-20 61.9 15.06 6.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 57.47 70.37 0.66 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.611 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.537 ' CE1' HD12 ' A' ' 128' ' ' LEU . 18.0 m-85 -144.1 164.87 29.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.967 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -122.4 153.31 39.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.474 ' CG2' ' HG3' ' A' ' 85' ' ' GLU . 18.5 p -129.96 163.45 26.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.371 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -146.7 133.74 20.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.978 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.568 HD12 ' CE2' ' A' ' 103' ' ' PHE . 32.9 mt -134.08 137.1 52.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.1 t -64.36 138.17 58.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.983 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.75 -70.07 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.259 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.545 ' HB3' ' CD2' ' A' ' 97' ' ' HIS . 2.6 mttt -46.24 -29.28 1.54 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.545 ' CD2' ' HB3' ' A' ' 96' ' ' LYS . 0.3 OUTLIER -122.24 54.72 1.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.58 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.43 ' HA ' ' CG2' ' A' ' 93' ' ' ILE . . . -92.02 -35.95 13.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -73.78 -19.63 60.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.566 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 1.1 mtpt -77.65 -4.01 43.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 47.57 64.16 1.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.566 ' CD1' ' O ' ' A' ' 100' ' ' LYS . 49.3 m0 -112.6 132.51 55.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 107.968 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.568 ' CE2' HD12 ' A' ' 93' ' ' ILE . 95.4 m-85 -114.33 148.89 36.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.493 ' O ' ' C ' ' A' ' 105' ' ' GLY . 31.3 t -73.53 -21.56 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.493 ' C ' ' O ' ' A' ' 104' ' ' VAL . . . -30.31 145.08 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.515 1.134 . . . . 0.0 111.013 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.6 mt -106.63 148.68 28.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 0.78 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 111' ' ' SER . 3.4 mtpt -55.7 -168.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.407 ' CG ' ' O ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -104.13 -9.72 18.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 23.1 m-20 -91.91 23.63 3.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.311 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.552 ' HA2' ' CD2' ' A' ' 16' ' ' HIS . . . 63.48 41.41 99.28 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.423 1.077 . . . . 0.0 111.028 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.481 ' O ' ' N ' ' A' ' 107' ' ' LYS . 4.8 m -137.84 164.85 27.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 0.77 . . . . 0.0 110.033 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 26.8 p -75.62 135.16 40.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 108.261 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 114' ' ' ARG . 13.5 tttt -91.28 112.93 25.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.309 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 113' ' ' LYS . 0.1 OUTLIER -36.62 130.23 0.75 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . 0.498 ' N ' ' CD ' ' A' ' 116' ' ' PRO . . . -46.13 -51.31 11.51 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 115' ' ' GLY . 18.2 Cg_endo -74.95 7.68 2.74 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.475 1.776 . . . . 0.0 110.996 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 7.1 mmt180 -122.17 42.72 3.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.331 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.437 ' O ' ' CD2' ' A' ' 119' ' ' HIS . 14.1 p -129.56 167.47 17.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 110.393 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.442 ' HB2' ' NE2' ' A' ' 122' ' ' GLN . 41.0 m-70 -147.47 173.04 13.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.153 . . . . 0.0 109.596 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.476 ' HA ' ' CD1' ' A' ' 125' ' ' ILE . 1.6 t80 -94.44 137.2 33.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 111.014 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 87.11 15.66 62.26 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.467 1.105 . . . . 0.0 111.024 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.442 ' NE2' ' HB2' ' A' ' 119' ' ' HIS . 10.8 mt-30 -96.31 136.89 36.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 0.786 . . . . 0.0 110.312 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.418 ' HG2' ' N ' ' A' ' 13' ' ' ASN . 0.6 OUTLIER -57.28 -17.35 11.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -69.47 -62.05 1.54 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.551 ' HB ' ' CD2' ' A' ' 103' ' ' PHE . 1.3 pt -58.54 -33.45 48.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 52.1 mt -62.25 100.79 0.19 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.095 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.552 ' CD1' ' HB3' ' A' ' 9' ' ' LEU . 1.6 m-85 -109.14 132.78 53.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 0.0 110.994 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.537 HD12 ' CE1' ' A' ' 89' ' ' TYR . 0.8 OUTLIER -116.39 120.25 35.09 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . 0.447 ' HD2' ' CD2' ' A' ' 128' ' ' LEU . 18.2 Cg_endo -75.04 122.96 7.52 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.458 1.767 . . . . 0.0 111.03 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 36.9 mt -106.26 150.76 39.81 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 154.89 43.01 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.536 1.809 . . . . 0.0 111.02 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.514 ' HB ' ' CD2' ' A' ' 8' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.91 0 N-CA-C 111.028 -0.412 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -135.17 162.37 32.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -118.15 143.89 46.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.574 HD23 ' CD2' ' A' ' 127' ' ' PHE . 2.9 mp -92.19 127.79 37.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 109.346 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.465 ' HB2' ' CD2' ' A' ' 130' ' ' LEU . 34.3 t80 -104.72 119.3 38.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 0.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 13' ' ' ASN . 42.3 t -96.91 77.18 2.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 108.325 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 11' ' ' CYS . 25.1 p -37.74 -31.88 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.986 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 11' ' ' CYS . 23.9 t30 -40.47 -67.43 0.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 109.246 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.41 ' CA ' ' HG2' ' A' ' 108' ' ' LYS . . . -116.01 -20.17 5.34 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.518 1.137 . . . . 0.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.476 ' O ' ' CG ' ' A' ' 16' ' ' HIS . . . 85.75 95.44 0.78 Allowed Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.582 ' CD2' ' HB2' ' A' ' 30' ' ' ARG . 73.2 m80 -158.13 178.18 10.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 0.751 . . . . 0.0 109.597 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.409 ' CE2' ' HG2' ' A' ' 32' ' ' ARG . 10.6 m-85 -127.21 141.91 51.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.981 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.458 HD23 ' CD1' ' A' ' 60' ' ' LEU . 11.9 tp -79.12 114.04 17.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.486 ' CZ ' ' HB ' ' A' ' 29' ' ' THR . 0.4 OUTLIER -118.56 151.65 37.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 110.347 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.448 ' CD1' HD21 ' A' ' 39' ' ' LEU . 13.3 mt -122.5 108.21 21.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.448 ' CD2' ' HD2' ' A' ' 19' ' ' ARG . 34.9 mt -83.02 157.5 66.07 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.441 ' CB ' HG21 ' A' ' 56' ' ' THR . 18.2 Cg_endo -75.0 -0.65 10.23 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.481 1.779 . . . . 0.0 111.0 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.52 -8.61 28.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.169 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 88.86 47.96 4.03 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.459 1.1 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.407 ' CG2' ' OD2' ' A' ' 27' ' ' ASP . 3.0 m -126.11 134.47 51.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 0.763 . . . . 0.0 110.422 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.8 t -132.87 106.01 9.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.407 ' OD2' ' CG2' ' A' ' 25' ' ' THR . 0.6 OUTLIER -150.39 162.16 41.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.43 130.63 15.8 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.494 ' O ' ' C ' ' A' ' 30' ' ' ARG . 4.4 t -120.03 -5.38 10.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 0.0 110.41 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.582 ' HB2' ' CD2' ' A' ' 16' ' ' HIS . 17.4 ttt180 31.39 40.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 29' ' ' THR . 0.4 OUTLIER -132.64 109.75 9.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.409 ' HG2' ' CE2' ' A' ' 17' ' ' PHE . 5.1 mtm-85 -70.26 -22.86 62.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.86 -43.71 77.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.973 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.46 144.4 4.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.117 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -108.05 0.95 22.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.291 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.478 ' CD2' ' HG2' ' A' ' 55' ' ' GLU . 7.0 m80 -99.89 0.4 41.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.553 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 10.3 pt -85.42 -34.35 8.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -54.31 92.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.336 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.448 HD21 ' CD1' ' A' ' 20' ' ' ILE . 26.6 mt -98.31 146.6 25.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.45 ' HB2' ' CG2' ' A' ' 54' ' ' THR . 0.0 OUTLIER -105.73 115.5 30.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 110.276 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.42 135.93 34.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.346 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.7 t -131.78 163.28 28.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.996 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -122.66 127.19 48.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -113.98 -44.99 3.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.127 . . . . 0.0 110.289 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.21 166.2 18.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.971 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 77.9 t -68.79 114.4 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.11 5.73 70.04 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.43 1.082 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.45 ' HG2' ' CD2' ' A' ' 81' ' ' LEU . 11.0 mt-10 -120.17 142.19 49.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 0.732 . . . . 0.0 110.252 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 36.0 m -138.06 151.4 25.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -118.84 133.22 55.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.8 mt -117.61 117.21 54.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.555 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 0.1 OUTLIER -127.25 152.81 46.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.255 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.8 t -81.5 137.03 35.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.988 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.45 ' CG2' ' HB2' ' A' ' 40' ' ' GLN . 35.6 p -101.29 4.52 41.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.401 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.478 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 46.5 tp10 -109.62 -80.99 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.262 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.467 ' OG1' ' N ' ' A' ' 57' ' ' GLY . 62.3 p -59.06 -77.35 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.423 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.467 ' N ' ' OG1' ' A' ' 56' ' ' THR . . . 141.39 44.75 0.06 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.456 1.098 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -129.32 160.08 34.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 0.773 . . . . 0.0 110.32 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.555 ' CD1' ' HG2' ' A' ' 52' ' ' LYS . 5.2 m-30 -104.59 143.23 33.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 111.022 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.458 ' CD1' HD23 ' A' ' 18' ' ' LEU . 3.9 tp -77.34 110.47 12.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -140.73 154.34 46.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.473 ' HE3' ' CD2' ' A' ' 68' ' ' LEU . 5.0 tpp -104.69 131.1 52.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.404 ' CG ' ' CE2' ' A' ' 69' ' ' TYR . 0.4 OUTLIER -82.45 -168.4 1.98 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.5 p -82.97 -1.04 51.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.407 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -91.8 -6.06 52.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.41 ' HA3' ' CD ' ' A' ' 116' ' ' PRO . . . 82.56 7.7 87.12 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.5 1.125 . . . . 0.0 111.028 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.66 168.42 9.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 0.787 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.473 ' CD2' ' HE3' ' A' ' 62' ' ' MET . 7.5 mt -106.3 140.63 38.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.535 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 3.3 p90 -146.19 154.33 41.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 110.983 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -75.56 111.08 3.23 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.507 1.13 . . . . 0.0 110.979 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.07 131.82 34.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 0.801 . . . . 0.0 109.99 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -72.49 -51.86 18.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 110.303 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.6 p -98.83 156.58 35.4 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.392 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 115.33 4.26 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.462 1.77 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.423 ' O ' ' N ' ' A' ' 78' ' ' CYS . 53.1 m-80 -127.0 151.93 47.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 109.274 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -45.85 -31.09 1.94 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.117 . . . . 0.0 110.325 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.593 ' HG2' ' HE2' ' A' ' 97' ' ' HIS . 46.5 mt-10 -59.07 -32.53 69.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.305 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.423 ' N ' ' O ' ' A' ' 75' ' ' ASN . 61.7 m -72.63 -17.54 61.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.56 1.162 . . . . 0.0 108.277 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.5 tp -90.57 117.83 29.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.553 ' CE1' ' O ' ' A' ' 77' ' ' GLU . 23.9 m-85 -118.76 164.13 15.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.45 ' CD2' ' HG2' ' A' ' 48' ' ' GLU . 4.5 mt -104.19 127.17 51.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -108.68 148.41 30.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 110.255 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.74 166.63 30.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 110.326 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -95.63 121.64 37.54 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.495 ' HG3' ' CG2' ' A' ' 91' ' ' THR . 1.2 mm-40 -112.33 161.52 16.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.27 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -63.69 175.57 1.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.4 m-20 63.54 13.45 7.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 2.7 t60 60.22 63.8 1.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.137 . . . . 0.0 109.595 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.554 ' CE1' HD11 ' A' ' 128' ' ' LEU . 2.7 m-85 -142.89 152.57 42.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.965 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -113.72 155.18 26.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.495 ' CG2' ' HG3' ' A' ' 85' ' ' GLU . 31.5 p -126.95 163.25 24.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 110.407 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -142.24 133.18 25.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 111.037 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.577 HD11 ' CE2' ' A' ' 103' ' ' PHE . 46.1 mt -137.3 139.21 44.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.8 t -61.99 138.27 58.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.964 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 24.7 tttt -73.66 -48.73 30.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.51 ' HB3' ' CD2' ' A' ' 97' ' ' HIS . 0.7 OUTLIER -63.63 -27.62 69.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.593 ' HE2' ' HG2' ' A' ' 77' ' ' GLU . 0.5 OUTLIER -121.13 37.8 4.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.597 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.54 -44.39 82.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -69.77 -12.2 61.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.321 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.534 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 13.2 mttt -83.11 -9.84 59.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.452 1.095 . . . . 0.0 109.345 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 49.61 63.67 2.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.534 ' CD1' ' O ' ' A' ' 100' ' ' LYS . 48.3 m0 -112.97 132.18 55.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 108.009 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.577 ' CE2' HD11 ' A' ' 93' ' ' ILE . 84.2 m-85 -114.25 149.16 36.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.454 ' O ' ' C ' ' A' ' 105' ' ' GLY . 23.8 t -75.15 -22.0 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.52 ' HA2' ' CE2' ' A' ' 127' ' ' PHE . . . -32.93 147.94 0.01 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.493 1.121 . . . . 0.0 110.984 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -107.29 154.13 21.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 0.766 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 111' ' ' SER . 34.3 mttm -60.97 -164.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.41 ' HG2' ' CA ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER -108.8 -6.23 15.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.26 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -92.69 5.01 52.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 84.26 31.83 24.39 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.513 1.133 . . . . 0.0 111.014 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.471 ' O ' ' N ' ' A' ' 107' ' ' LYS . 95.7 p -129.82 167.53 17.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 0.786 . . . . 0.0 109.99 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 16.1 p -76.2 135.55 39.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 108.288 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.465 ' CD ' ' CG2' ' A' ' 118' ' ' THR . 9.8 ttmm -89.78 114.48 26.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.336 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 113' ' ' LYS . 0.8 OUTLIER -38.85 131.78 1.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 110.267 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . 0.543 ' N ' ' CD ' ' A' ' 116' ' ' PRO . . . -52.77 -48.53 56.57 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.461 1.1 . . . . 0.0 111.027 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.543 ' CD ' ' N ' ' A' ' 115' ' ' GLY . 18.4 Cg_endo -75.01 6.01 3.65 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.513 1.796 . . . . 0.0 110.973 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -116.42 8.27 14.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.306 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.465 ' CG2' ' CD ' ' A' ' 113' ' ' LYS . 1.3 p -114.52 152.55 31.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 110.412 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -163.1 -166.52 1.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.629 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -89.18 135.86 33.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 115.73 -14.51 17.27 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.53 1.144 . . . . 0.0 110.95 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -87.95 153.45 21.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 0.761 . . . . 0.0 110.343 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -95.74 20.66 9.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -99.9 -45.31 5.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.566 ' HB ' ' CD2' ' A' ' 103' ' ' PHE . 5.1 pt -56.89 -32.43 38.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 42.4 mt -62.54 123.81 19.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.574 ' CD2' HD23 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -137.89 137.05 37.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.985 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.554 HD11 ' CE1' ' A' ' 89' ' ' TYR . 0.7 OUTLIER -121.87 120.73 28.4 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . 0.402 ' HD2' ' CD2' ' A' ' 128' ' ' LEU . 18.2 Cg_endo -74.98 106.81 2.35 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.503 1.791 . . . . 0.0 111.01 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.465 ' CD2' ' HB2' ' A' ' 10' ' ' TYR . 2.7 mm? -87.41 149.02 45.85 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.351 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 133.14 16.24 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.51 1.794 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.896 0 N-CA-C 111.027 -0.413 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -141.88 165.37 27.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.2 mt -124.44 137.9 54.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.46 ' CD1' HD22 ' A' ' 41' ' ' LEU . 1.9 mp -92.3 107.51 19.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.336 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.467 ' O ' ' CD1' ' A' ' 127' ' ' PHE . 20.5 t80 -86.23 152.01 23.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.461 ' O ' ' N ' ' A' ' 15' ' ' GLY . 43.9 t -130.26 77.09 1.77 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 108.298 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 11' ' ' CYS . 11.1 p -35.12 -35.7 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.982 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 11' ' ' CYS . 24.9 t30 -42.0 -51.9 4.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -122.05 -36.37 0.71 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 11' ' ' CYS . . . 95.35 68.54 1.02 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 29.5 m80 -141.81 171.82 13.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 0.781 . . . . 0.0 109.618 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -111.27 141.92 44.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 111.022 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.415 HD22 ' CD1' ' A' ' 60' ' ' LEU . 13.0 tp -80.12 110.51 15.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.45 ' HB3' ' CG2' ' A' ' 37' ' ' ILE . 3.7 ptm180 -111.44 152.17 27.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.271 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.9 mt -124.37 118.58 54.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.476 HD13 ' CG2' ' A' ' 25' ' ' THR . 20.2 mt -85.16 156.77 60.06 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -3.1 13.42 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.498 1.789 . . . . 0.0 111.01 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.79 -2.31 51.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.48 41.88 7.64 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.536 1.148 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.476 ' CG2' HD13 ' A' ' 21' ' ' LEU . 3.0 m -122.36 147.7 45.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 0.771 . . . . 0.0 110.374 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 15.0 t -129.53 120.2 50.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -144.86 162.22 37.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -91.65 152.37 21.43 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.512 1.132 . . . . 0.0 111.03 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.463 HG21 ' CG2' ' A' ' 37' ' ' ILE . 5.9 t -156.36 126.54 6.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 0.0 110.383 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.6 ttt-85 -101.35 55.88 0.84 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.254 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' A' ' 33' ' ' SER . 1.7 t0 -143.99 101.96 3.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -68.47 60.55 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 31' ' ' ASP . 0.1 OUTLIER -134.25 -46.55 0.77 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.986 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -44.35 132.68 5.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -90.63 28.74 1.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 3.4 m80 -126.32 -44.26 1.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 0.0 109.612 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.463 ' CG2' HG21 ' A' ' 29' ' ' THR . 41.3 pt -46.88 -28.64 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -62.16 82.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 110.34 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.449 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 18.8 mt -90.92 147.28 23.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.457 ' HB2' ' CG2' ' A' ' 54' ' ' THR . 0.0 OUTLIER -105.28 114.87 29.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.476 ' CD1' HG23 ' A' ' 51' ' ' ILE . 0.1 OUTLIER -92.88 135.64 33.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.7 m -139.9 157.18 46.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.993 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -114.94 125.41 53.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.26 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -113.03 -39.0 4.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.262 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.22 165.17 20.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.02 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.2 p -66.32 118.48 9.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.03 11.71 84.88 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.473 1.108 . . . . 0.0 111.061 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -119.42 139.79 51.45 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 0.762 . . . . 0.0 110.283 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.7 m -136.76 150.89 27.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.414 ' CZ ' ' HB2' ' A' ' 79' ' ' LEU . 2.9 m-85 -117.92 131.67 56.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 110.953 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.476 HG23 ' CD1' ' A' ' 41' ' ' LEU . 2.6 mt -115.66 108.22 24.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.562 ' HE3' ' CE1' ' A' ' 59' ' ' TYR . 31.0 tttt -127.04 145.89 50.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.449 ' HA ' ' CD2' ' A' ' 39' ' ' LEU . 0.4 OUTLIER -79.06 136.51 37.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 110.016 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.457 ' CG2' ' HB2' ' A' ' 40' ' ' GLN . 66.5 p -92.75 2.92 56.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 110.433 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.1 tp10 -104.37 -73.92 0.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 32.2 p -64.27 -57.45 9.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.422 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 115.25 27.51 3.12 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -109.03 158.75 17.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 0.766 . . . . 0.0 110.308 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.562 ' CE1' ' HE3' ' A' ' 52' ' ' LYS . 25.0 m-85 -103.98 146.97 27.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.971 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.415 ' CD1' HD22 ' A' ' 18' ' ' LEU . 6.8 tp -81.5 116.28 21.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -138.2 153.96 49.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 40.5 ttm -111.83 116.63 30.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.45 -161.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 54.6 p -85.21 -31.2 23.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 110.401 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -57.55 -18.33 18.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.48 -4.96 67.14 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.509 1.131 . . . . 0.0 110.961 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.26 162.69 16.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 0.731 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.5 mt -99.27 144.74 28.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.552 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 2.9 p90 -152.01 151.9 31.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -78.73 121.79 5.7 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.533 1.146 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.432 ' OG ' ' HB2' ' A' ' 59' ' ' TYR . 2.1 p -86.14 136.99 32.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 0.736 . . . . 0.0 110.042 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -68.14 -33.28 74.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.405 ' O ' ' OG ' ' A' ' 71' ' ' SER . 18.4 p -126.74 157.11 72.37 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.427 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 110.09 3.05 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.438 1.757 . . . . 0.0 111.008 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -125.65 157.55 36.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -46.36 -34.44 4.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 110.294 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -57.0 -27.39 61.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 110.262 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 37.1 m -80.39 -19.28 46.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 108.3 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.414 ' HB2' ' CZ ' ' A' ' 50' ' ' TYR . 2.7 tp -86.58 119.93 27.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -115.72 164.45 14.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 111.01 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.12 125.55 50.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -109.24 148.85 30.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.279 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.08 165.87 31.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.278 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -94.25 108.73 20.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.497 ' HG3' ' CG2' ' A' ' 91' ' ' THR . 2.5 mt-10 -99.43 155.7 17.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.168 . . . . 0.0 110.327 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -54.19 -173.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 110.295 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.2 m-20 55.45 20.23 3.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 2.6 t60 51.88 62.15 2.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.609 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.542 ' CD2' ' HB3' ' A' ' 126' ' ' LEU . 2.0 m-85 -142.44 163.95 31.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -115.3 161.99 17.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.497 ' CG2' ' HG3' ' A' ' 85' ' ' GLU . 1.4 p -131.46 165.82 22.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.422 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.429 ' CD1' ' O ' ' A' ' 91' ' ' THR . 39.5 m-85 -148.02 132.74 17.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.173 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.558 HD11 ' CE2' ' A' ' 103' ' ' PHE . 28.2 mt -134.87 147.0 29.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.54 138.41 44.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.033 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 12.5 tttp -62.9 -71.63 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.536 ' HB3' ' CD2' ' A' ' 97' ' ' HIS . 4.1 tttt -47.91 -30.0 3.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.545 ' CD2' ' N ' ' A' ' 97' ' ' HIS . 0.3 OUTLIER -118.91 58.33 0.85 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.596 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -98.55 -53.69 3.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.0 -23.46 19.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.539 ' HD3' ' CZ2' ' A' ' 102' ' ' TRP . 3.6 mtpt -76.08 -5.97 48.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 50.73 64.33 1.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.246 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.539 ' CZ2' ' HD3' ' A' ' 100' ' ' LYS . 47.5 m0 -112.54 131.53 55.55 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.558 ' CE2' HD11 ' A' ' 93' ' ' ILE . 80.6 m-85 -114.45 146.85 40.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 111.012 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.418 HG12 ' N ' ' A' ' 105' ' ' GLY . 70.0 t -60.77 -94.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.57 ' HA2' ' CE1' ' A' ' 127' ' ' PHE . . . 54.56 167.22 0.03 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.524 1.14 . . . . 0.0 110.951 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.469 ' CD2' ' HA ' ' A' ' 112' ' ' CYS . 3.2 mt -137.38 133.67 35.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 0.767 . . . . 0.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 111' ' ' SER . 9.7 mtmt -51.49 -177.62 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.326 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.37 -6.37 58.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -91.77 16.08 11.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 65.36 30.69 78.26 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 107' ' ' LYS . 14.7 m -124.28 167.24 14.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 0.781 . . . . 0.0 110.05 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . 0.469 ' HA ' ' CD2' ' A' ' 106' ' ' LEU . 20.9 p -72.78 135.23 45.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 108.298 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.35 126.8 35.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.462 ' CB ' ' HG3' ' A' ' 117' ' ' ARG . 0.1 OUTLIER -38.34 144.46 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . 0.449 ' C ' ' H ' ' A' ' 117' ' ' ARG . . . -64.89 -58.54 9.65 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.469 1.105 . . . . 0.0 110.997 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.416 ' HB3' ' NE1' ' A' ' 102' ' ' TRP . 18.2 Cg_endo -75.01 40.79 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.502 1.79 . . . . 0.0 110.967 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.462 ' HG3' ' CB ' ' A' ' 114' ' ' ARG . 7.2 mmt180 -143.61 19.1 1.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.317 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.7 p -114.9 163.07 16.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.361 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -167.49 176.35 6.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.669 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -81.95 124.23 29.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 111.06 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 122.76 -7.25 9.52 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.499 1.124 . . . . 0.0 111.068 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -91.72 149.4 21.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 0.0 110.309 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.47 10.09 16.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -90.83 -44.85 9.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.2 pt -62.0 -35.86 70.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.542 ' HB3' ' CD2' ' A' ' 89' ' ' TYR . 16.2 mt -69.57 112.16 5.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.57 ' CE1' ' HA2' ' A' ' 105' ' ' GLY . 0.5 OUTLIER -124.45 144.76 49.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.999 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 4.9 tp -129.58 117.18 18.53 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 107.97 2.61 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.506 1.793 . . . . 0.0 110.979 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.418 ' HA ' ' HD3' ' A' ' 131' ' ' PRO . 81.4 mt -88.21 133.19 37.4 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 130' ' ' LEU . 18.4 Cg_endo -74.99 134.01 17.31 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.507 1.793 . . . . 0.0 111.001 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 4.3 p . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.257 -179.954 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.854 0 N-CA-C 110.975 -0.433 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.412 ' CD ' ' HB2' ' A' ' 129' ' ' PRO . 0.1 OUTLIER -144.71 160.77 40.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.36 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.473 ' CD1' ' HB ' ' A' ' 132' ' ' VAL . 4.1 mt -121.94 141.46 51.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.2 mt -93.68 112.24 24.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.351 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.449 ' CB ' ' O ' ' A' ' 128' ' ' LEU . 36.5 t80 -86.58 148.26 25.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 110.995 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 15' ' ' GLY . 52.4 t -133.1 77.63 1.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 108.3 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 13' ' ' ASN . 10.9 t -38.18 -37.48 0.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.995 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.43 ' C ' ' O ' ' A' ' 12' ' ' SER . 7.4 t30 -38.33 -43.41 0.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -131.98 -41.74 0.19 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.481 1.113 . . . . 0.0 110.995 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 11' ' ' CYS . . . 101.5 55.47 0.9 Allowed Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.571 ' CD2' ' HG2' ' A' ' 30' ' ' ARG . 12.4 m80 -130.56 167.21 19.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 0.0 109.618 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -111.82 141.85 44.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 111.008 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.5 tp -79.1 120.47 23.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.456 ' HB3' ' CG2' ' A' ' 37' ' ' ILE . 4.5 ptm180 -121.53 155.21 35.49 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.156 . . . . 0.0 110.308 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.611 ' O ' ' CE1' ' A' ' 36' ' ' HIS . 25.3 mt -123.89 128.07 74.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.478 HD11 ' CG2' ' A' ' 25' ' ' THR . 18.6 mt -97.28 157.5 34.79 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.412 ' HB3' ' CG2' ' A' ' 56' ' ' THR . 18.3 Cg_endo -74.97 0.76 8.5 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.54 1.811 . . . . 0.0 110.969 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -100.96 10.12 41.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.58 45.55 44.96 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.429 1.081 . . . . 0.0 110.962 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.478 ' CG2' HD11 ' A' ' 21' ' ' LEU . 2.7 m -126.61 147.62 49.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 0.765 . . . . 0.0 110.426 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.7 t -135.25 121.45 32.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -145.37 162.42 37.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -88.89 145.7 18.81 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.484 1.115 . . . . 0.0 110.974 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.432 HG23 ' CG2' ' A' ' 37' ' ' ILE . 3.8 t -148.27 142.65 26.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 0.741 . . . . 0.0 110.378 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.571 ' HG2' ' CD2' ' A' ' 16' ' ' HIS . 3.9 ptt180 -115.82 44.53 1.89 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -134.3 90.28 2.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.7 -38.43 1.43 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.321 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.43 -33.54 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.988 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -43.64 133.01 4.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -106.56 56.01 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 110.314 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.732 ' HE2' HG22 ' A' ' 56' ' ' THR . 1.7 t-80 -164.49 -43.5 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.595 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.456 ' CG2' ' HB3' ' A' ' 19' ' ' ARG . 50.0 pt -41.53 -28.92 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.435 ' N ' ' C ' ' A' ' 36' ' ' HIS . 58.8 mt-30 -62.07 92.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 110.294 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 72.1 mt -104.61 147.19 27.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.462 ' HB2' ' CG2' ' A' ' 54' ' ' THR . 0.0 OUTLIER -105.53 116.86 32.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 110.243 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.77 136.05 33.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.6 m -133.82 161.01 35.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 110.008 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -119.13 126.23 51.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 109.337 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.446 ' HG2' ' OG ' ' A' ' 45' ' ' SER . 0.6 OUTLIER -108.38 -45.8 3.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.278 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.446 ' OG ' ' HG2' ' A' ' 44' ' ' GLU . 0.9 OUTLIER -127.64 166.33 18.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.008 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.3 p -60.85 122.91 12.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.8 7.86 76.07 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.521 1.138 . . . . 0.0 111.032 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -114.82 134.62 54.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 0.774 . . . . 0.0 110.317 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 24.9 m -132.11 159.45 43.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -127.51 131.79 50.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.962 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.7 mt -115.54 113.54 43.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.452 ' HD3' ' CE1' ' A' ' 59' ' ' TYR . 16.6 ttpt -130.72 151.1 51.53 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.49 136.24 34.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.019 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.462 ' CG2' ' HB2' ' A' ' 40' ' ' GLN . 45.8 p -97.31 8.42 44.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.406 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.436 ' HB3' ' CE1' ' A' ' 36' ' ' HIS . 23.8 tp10 -101.4 -69.19 0.79 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.133 . . . . 0.0 110.338 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.732 HG22 ' HE2' ' A' ' 36' ' ' HIS . 80.4 p -84.29 -50.15 8.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.369 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 114.5 43.28 0.77 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.449 1.093 . . . . 0.0 110.979 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -116.74 137.76 51.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 0.788 . . . . 0.0 110.268 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.452 ' CE1' ' HD3' ' A' ' 52' ' ' LYS . 97.6 m-85 -84.67 142.3 29.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 111.01 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.405 ' HB2' ' CD1' ' A' ' 20' ' ' ILE . 1.3 tp -82.73 117.64 22.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -139.11 152.55 47.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 109.332 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 45.3 ttm -107.98 116.13 31.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 111.029 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.571 ' CG ' ' CE2' ' A' ' 69' ' ' TYR . 1.7 m-20 -69.39 -172.64 0.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 67.4 p -76.84 -20.45 56.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.377 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.402 ' HB3' ' CD2' ' A' ' 67' ' ' LEU . 61.7 m-20 -67.72 -12.22 60.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.95 -10.11 75.02 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.437 ' N ' HD13 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -87.19 168.38 13.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 0.777 . . . . 0.0 109.322 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.0 mt -103.22 144.71 30.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.571 ' CE2' ' CG ' ' A' ' 63' ' ' ASP . 4.2 p90 -145.03 156.04 43.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 111.045 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -78.73 111.73 3.31 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.511 1.132 . . . . 0.0 110.978 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.02 117.98 25.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 0.756 . . . . 0.0 109.967 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -54.53 -57.71 10.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.9 p -100.96 157.02 34.45 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.363 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 116.56 4.62 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.462 1.769 . . . . 0.0 110.983 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 -126.78 157.42 39.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -47.77 -28.76 2.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.295 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.47 ' O ' ' CE1' ' A' ' 80' ' ' PHE . 39.8 mt-10 -63.89 -31.37 72.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.339 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 57.5 m -73.93 -16.97 61.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 108.321 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.7 tp -89.17 124.2 34.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.345 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.47 ' CE1' ' O ' ' A' ' 77' ' ' GLU . 17.0 m-85 -124.11 165.4 17.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 110.992 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.6 125.74 50.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.82 147.57 31.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.54 165.02 34.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.69 115.11 27.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.489 ' HG3' ' CG2' ' A' ' 91' ' ' THR . 1.2 mt-10 -104.67 145.21 30.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -52.0 -179.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 62.6 m-20 60.74 15.5 5.9 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.536 1.147 . . . . 0.0 109.271 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER 60.66 60.24 1.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.591 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -141.87 158.29 43.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -122.95 153.03 40.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.333 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.489 ' CG2' ' HG3' ' A' ' 85' ' ' GLU . 21.0 p -125.86 155.32 41.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.425 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -134.87 132.67 38.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 50.0 mt -130.02 138.12 54.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.2 t -67.75 138.21 56.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.437 1.086 . . . . 0.0 110.025 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.43 ' C ' ' N ' ' A' ' 97' ' ' HIS . 11.5 tttm -63.86 -74.71 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.544 ' HB3' ' CD2' ' A' ' 97' ' ' HIS . 4.9 mttt -40.9 -29.64 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.544 ' CD2' ' HB3' ' A' ' 96' ' ' LYS . 0.3 OUTLIER -122.71 57.74 1.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.62 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -91.52 -43.22 9.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -67.62 -16.56 64.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.328 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.565 ' HD2' ' CZ2' ' A' ' 102' ' ' TRP . 13.1 mttt -78.09 -7.15 56.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 49.31 64.23 1.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.163 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.565 ' CZ2' ' HD2' ' A' ' 100' ' ' LYS . 49.0 m0 -112.55 131.69 55.48 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -116.71 148.16 41.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 110.984 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.416 ' O ' ' CZ ' ' A' ' 127' ' ' PHE . 19.8 t -87.03 108.37 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.566 ' HA2' ' CE1' ' A' ' 127' ' ' PHE . . . -146.2 152.1 24.25 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.503 1.127 . . . . 0.0 110.958 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 10.3 mt -118.29 159.6 23.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 0.761 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.99 -177.43 4.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -67.75 -25.46 65.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 17.8 t30 -84.73 9.51 13.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 109.274 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 63.02 41.18 99.93 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.475 1.11 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.96 143.8 44.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.433 0.725 . . . . 0.0 109.97 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 6.9 p -65.91 134.47 53.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 108.277 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 114' ' ' ARG . 1.4 ttmm -90.89 129.78 36.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.466 ' CB ' ' HG3' ' A' ' 117' ' ' ARG . 0.0 OUTLIER -38.27 124.91 1.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.306 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . 0.58 ' N ' ' CD ' ' A' ' 116' ' ' PRO . . . -54.4 -46.34 72.91 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.482 1.114 . . . . 0.0 110.964 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.58 ' CD ' ' N ' ' A' ' 115' ' ' GLY . 18.1 Cg_endo -75.02 5.44 3.99 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.528 1.804 . . . . 0.0 110.988 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.466 ' HG3' ' CB ' ' A' ' 114' ' ' ARG . 3.4 mmm180 -116.04 39.8 2.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.274 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 19.3 p -125.48 166.54 16.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 110.422 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -175.06 177.12 2.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.613 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -86.21 136.15 33.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 0.0 110.962 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 111.44 -11.04 28.41 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -86.48 154.83 20.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.779 . . . . 0.0 110.305 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 5.4 tppt? -93.81 14.1 20.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.43 ' HB3' ' ND2' ' A' ' 13' ' ' ASN . . . -95.73 -52.05 4.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 2.7 pt -59.54 -33.72 52.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.342 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 96.3 mt -64.45 100.9 0.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.566 ' CE1' ' HA2' ' A' ' 105' ' ' GLY . 1.1 m-30 -112.72 132.99 54.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.976 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.449 ' O ' ' CB ' ' A' ' 10' ' ' TYR . 0.8 OUTLIER -114.1 118.91 41.61 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . 0.412 ' HB2' ' CD ' ' A' ' 7' ' ' LYS . 18.2 Cg_endo -75.05 114.18 3.96 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.512 1.796 . . . . 0.0 110.991 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 80.5 mt -102.67 131.67 22.1 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.334 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 148.21 35.21 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.507 1.793 . . . . 0.0 111.033 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.473 ' HB ' ' CD1' ' A' ' 8' ' ' LEU . 9.8 p . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 109.331 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.855 0 N-CA-C 110.996 -0.425 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.5 ' CG ' ' O ' ' A' ' 130' ' ' LEU . 0.0 OUTLIER -144.7 168.18 20.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.556 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -106.65 147.96 28.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 73.6 mt -92.94 104.33 16.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -86.19 109.01 18.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 15' ' ' GLY . 43.1 t -87.6 79.95 8.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 0.0 108.307 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 11' ' ' CYS . 3.5 p -36.55 -34.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.002 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 11' ' ' CYS . 28.7 t30 -42.61 -53.01 4.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -120.92 -35.93 0.8 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.47 1.106 . . . . 0.0 111.014 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 11' ' ' CYS . . . 95.49 78.52 1.42 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.452 ' ND1' ' C ' ' A' ' 15' ' ' GLY . 52.4 m80 -155.81 168.79 26.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.75 . . . . 0.0 109.609 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.556 ' CD1' ' HB3' ' A' ' 8' ' ' LEU . 18.0 m-85 -111.43 143.79 41.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.411 HD22 ' CD1' ' A' ' 60' ' ' LEU . 10.5 tp -76.83 116.07 17.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.452 ' HB2' ' CG2' ' A' ' 37' ' ' ILE . 25.3 ttp180 -109.3 144.21 37.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.329 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.414 ' CD1' HD21 ' A' ' 39' ' ' LEU . 11.5 mt -124.81 104.38 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.46 HD13 ' CG2' ' A' ' 25' ' ' THR . 18.6 mt -76.92 157.03 82.14 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.471 ' CB ' HG22 ' A' ' 56' ' ' THR . 18.3 Cg_endo -75.01 -1.78 11.68 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.505 1.792 . . . . 0.0 111.0 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.93 7.8 44.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.94 37.7 37.83 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.542 1.152 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.46 ' CG2' HD13 ' A' ' 21' ' ' LEU . 3.5 m -117.01 146.36 43.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 0.789 . . . . 0.0 110.359 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.7 t -135.13 115.21 18.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -148.25 160.82 42.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -78.07 151.07 36.47 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.529 1.143 . . . . 0.0 111.004 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.536 ' CG2' ' CG2' ' A' ' 37' ' ' ILE . 7.0 t -156.94 116.04 3.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 0.77 . . . . 0.0 110.409 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.9 ttt-85 -92.81 50.12 1.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -132.55 92.85 3.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.22 -22.53 6.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.133 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.18 -30.82 62.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.005 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.452 ' OD2' ' NH1' ' A' ' 19' ' ' ARG . 0.4 OUTLIER -65.85 128.44 36.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -98.12 9.67 42.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.427 1.08 . . . . 0.0 110.321 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.561 ' CD2' ' HG2' ' A' ' 55' ' ' GLU . 5.9 m80 -96.66 -29.81 13.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.573 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.536 ' CG2' ' CG2' ' A' ' 29' ' ' THR . 17.6 pt -64.8 -21.49 29.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -60.66 81.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 37' ' ' ILE . 17.2 mt -86.87 146.99 25.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.345 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.47 ' HB2' ' CG2' ' A' ' 54' ' ' THR . 0.0 OUTLIER -105.63 115.88 30.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 110.342 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.44 136.45 33.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.9 m -136.25 155.85 49.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.979 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -119.91 128.71 53.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.447 ' CD ' ' N ' ' A' ' 44' ' ' GLU . 3.2 mm-40 -109.05 -54.34 2.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 110.319 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -129.3 165.8 20.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 110.01 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 77.2 t -61.98 115.13 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.47 16.22 59.05 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.547 1.154 . . . . 0.0 111.01 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -128.56 136.86 51.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 0.738 . . . . 0.0 110.284 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.3 m -145.01 150.92 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.575 ' CE1' ' HB2' ' A' ' 79' ' ' LEU . 1.6 m-85 -117.3 144.49 44.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.5 mt -126.2 107.93 18.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.551 ' HG3' ' CD1' ' A' ' 59' ' ' TYR . 17.6 tttt -129.33 146.72 51.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.424 ' HA ' ' CD2' ' A' ' 39' ' ' LEU . 0.4 OUTLIER -80.77 137.39 36.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.026 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.47 ' CG2' ' HB2' ' A' ' 40' ' ' GLN . 63.8 p -90.82 -10.89 41.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.419 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.561 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 3.3 tp10 -86.3 -76.28 0.35 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.088 . . . . 0.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.471 HG22 ' CB ' ' A' ' 22' ' ' PRO . 28.7 p -68.33 -53.28 25.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.43 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 108.82 45.3 1.05 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.49 1.119 . . . . 0.0 110.979 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -119.76 153.94 34.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 0.791 . . . . 0.0 110.289 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.551 ' CD1' ' HG3' ' A' ' 52' ' ' LYS . 58.9 m-85 -99.05 135.97 39.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 111.007 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.411 ' CD1' HD22 ' A' ' 18' ' ' LEU . 14.0 tp -76.96 119.97 21.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -140.31 151.36 44.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 31.6 ttm -106.38 116.14 31.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.06 -165.57 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 12.6 p -86.01 -7.52 58.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.418 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.461 ' HB3' ' CD1' ' A' ' 67' ' ' LEU . 0.8 OUTLIER -84.62 -6.02 59.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.284 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.443 ' HA3' ' CD ' ' A' ' 116' ' ' PRO . . . 82.29 1.78 90.47 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' A' ' 65' ' ' ASP . 4.4 mp -91.39 168.02 11.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 0.756 . . . . 0.0 109.347 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.4 mt -106.96 132.45 52.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.565 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 2.2 p90 -142.85 150.98 40.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 111.033 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -82.69 124.9 6.7 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.506 1.129 . . . . 0.0 110.96 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.6 t -91.24 140.16 30.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 0.777 . . . . 0.0 109.958 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -63.2 -38.2 90.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.262 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.3 p -122.87 160.48 49.0 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.415 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 114.71 4.09 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.497 1.788 . . . . 0.0 111.024 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -125.66 157.36 37.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.432 1.083 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -49.39 -32.45 11.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.414 ' CG ' ' HD2' ' A' ' 96' ' ' LYS . 41.5 mt-10 -62.97 -22.02 66.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 66.6 m -83.23 -22.57 33.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.418 1.074 . . . . 0.0 108.288 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.575 ' HB2' ' CE1' ' A' ' 50' ' ' TYR . 49.1 tp -85.79 127.01 34.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -120.68 166.1 14.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 111.028 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -102.74 122.91 45.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.432 ' HG2' ' N ' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -109.0 146.48 33.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 110.308 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.432 ' N ' ' HG2' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -151.74 149.79 29.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.258 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.416 HD22 ' N ' ' A' ' 85' ' ' GLU . 1.3 tm? -92.06 107.34 19.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.444 ' OE2' ' CD2' ' A' ' 126' ' ' LEU . 2.6 pp20? -109.16 159.72 16.67 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' A' ' 85' ' ' GLU . 21.0 mt-10 -50.56 -178.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.288 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 73.81 3.4 4.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.256 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 5.3 t60 58.57 52.47 6.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.599 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -144.74 161.26 39.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -115.93 153.76 31.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -125.27 158.94 32.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.429 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -139.57 132.84 29.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.969 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 39.3 mt -135.8 138.28 47.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.3 t -59.08 143.34 48.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.037 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.434 ' C ' ' N ' ' A' ' 97' ' ' HIS . 1.4 tttm -78.89 -56.16 4.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.414 ' HD2' ' CG ' ' A' ' 77' ' ' GLU . 0.9 OUTLIER -43.54 -27.43 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.668 ' CE1' ' CZ3' ' A' ' 102' ' ' TRP . 30.8 m-70 -103.58 -93.13 0.34 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.587 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 69.17 -62.68 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 97' ' ' HIS . 7.7 mt-10 -62.85 -13.15 30.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.334 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.551 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 8.5 mttm -90.23 -3.05 58.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 43.86 64.95 1.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.668 ' CZ3' ' CE1' ' A' ' 97' ' ' HIS . 45.3 m0 -111.9 131.63 55.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 108.042 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.513 ' CG ' HG22 ' A' ' 125' ' ' ILE . 94.9 m-85 -114.08 148.88 36.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 0.0 111.014 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.437 ' O ' ' O ' ' A' ' 105' ' ' GLY . 77.6 t -72.45 -91.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.437 ' O ' ' O ' ' A' ' 104' ' ' VAL . . . 50.02 175.28 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.447 1.092 . . . . 0.0 111.007 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.471 ' CD2' ' HA ' ' A' ' 112' ' ' CYS . 6.4 mt -138.32 131.61 30.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.772 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 111' ' ' SER . 2.3 mtmp? -52.93 -174.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.66 -9.23 52.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -88.99 15.05 9.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 67.36 25.69 73.63 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.472 ' O ' ' N ' ' A' ' 107' ' ' LYS . 0.6 OUTLIER -119.46 166.81 12.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 0.0 110.021 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . 0.471 ' HA ' ' CD2' ' A' ' 106' ' ' LEU . 19.5 p -74.2 135.35 42.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 108.308 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.459 ' HD3' ' CG2' ' A' ' 118' ' ' THR . 1.6 ttmp? -90.25 117.16 28.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 113' ' ' LYS . 2.2 mpp_? -36.77 149.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.312 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . 0.524 ' N ' ' CD ' ' A' ' 116' ' ' PRO . . . -70.13 -49.71 32.14 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.496 1.123 . . . . 0.0 110.946 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 115' ' ' GLY . 18.1 Cg_endo -75.05 4.32 4.87 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.57 1.826 . . . . 0.0 110.948 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 4.1 mmt-85 -112.78 23.48 13.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.313 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.497 ' OG1' ' O ' ' A' ' 115' ' ' GLY . 1.7 p -131.07 152.78 50.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.404 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -151.91 -169.84 3.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.649 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -91.13 123.07 34.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 127.51 -6.92 7.06 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.522 1.139 . . . . 0.0 111.024 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -91.1 157.62 17.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 0.74 . . . . 0.0 110.341 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.408 ' HG2' ' N ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -95.95 13.54 26.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -91.4 -55.62 3.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.513 HG22 ' CG ' ' A' ' 103' ' ' PHE . 3.6 pt -48.81 -31.37 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.444 ' CD2' ' OE2' ' A' ' 85' ' ' GLU . 14.1 mt -73.04 131.02 41.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -138.93 150.71 46.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 5.9 tp -133.71 115.25 13.38 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 124.56 8.73 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.438 1.757 . . . . 0.0 111.003 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.5 ' O ' ' CG ' ' A' ' 7' ' ' LYS . 4.0 mm? -99.12 142.51 24.74 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 116.65 4.64 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.476 1.777 . . . . 0.0 110.965 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 2.5 p . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.971 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.912 0 N-CA-C 111.032 -0.411 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -144.97 158.43 43.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.504 ' HB3' ' CG ' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -103.17 143.85 32.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.558 ' HB3' ' CD2' ' A' ' 127' ' ' PHE . 2.1 mp -91.5 104.44 16.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.475 ' HB2' ' CD2' ' A' ' 130' ' ' LEU . 20.8 t80 -74.62 151.73 39.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.975 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 12' ' ' SER . 39.3 t -135.51 70.13 1.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 108.31 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.46 ' C ' ' O ' ' A' ' 11' ' ' CYS . 17.2 t -34.81 -36.5 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.985 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.497 ' O ' ' CG ' ' A' ' 108' ' ' LYS . 29.4 t30 -41.8 -48.24 4.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.135 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 11' ' ' CYS . . . -125.77 -38.3 0.48 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.515 1.134 . . . . 0.0 111.017 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.549 ' O ' ' CG ' ' A' ' 16' ' ' HIS . . . 97.04 79.14 1.45 Allowed Glycine 0 CA--C 1.529 0.931 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.549 ' CG ' ' O ' ' A' ' 15' ' ' GLY . 66.2 m80 -162.7 153.64 17.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 0.749 . . . . 0.0 109.628 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.504 ' CG ' ' HB3' ' A' ' 8' ' ' LEU . 23.2 m-30 -101.15 142.54 32.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.147 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.479 ' CD1' HD22 ' A' ' 106' ' ' LEU . 12.3 tp -78.71 114.79 17.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.458 ' CZ ' ' HB ' ' A' ' 29' ' ' THR . 1.7 ptp180 -112.83 154.26 26.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.324 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 47.2 mt -124.43 117.04 49.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.269 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 22.4 mt -89.48 157.42 47.17 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 0.26 9.13 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.538 1.809 . . . . 0.0 111.008 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.37 11.46 39.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 70.27 47.45 44.11 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.452 1.095 . . . . 0.0 110.972 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 m -125.78 142.54 51.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 0.0 110.4 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.4 t -135.38 115.92 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.66 162.15 40.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -80.22 150.32 31.82 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.548 1.155 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.458 ' HB ' ' CZ ' ' A' ' 19' ' ' ARG . 2.6 t -160.8 136.12 7.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 0.784 . . . . 0.0 110.343 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.15 41.14 3.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 110.269 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 33' ' ' SER . 24.6 t0 -93.44 -6.26 47.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.35 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 31' ' ' ASP . 13.0 mtm180 36.8 32.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 31' ' ' ASP . 0.3 OUTLIER -129.24 -44.12 1.28 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.961 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.24 123.64 3.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -82.79 53.38 2.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 110.287 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.439 ' C ' ' N ' ' A' ' 38' ' ' GLN . 38.3 m80 -145.65 -46.9 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.618 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 39' ' ' LEU . 33.3 pt -41.63 -28.56 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.338 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.439 ' N ' ' C ' ' A' ' 36' ' ' HIS . 82.4 mt-30 -59.1 82.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.285 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 37' ' ' ILE . 18.2 mt -95.39 146.33 24.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -106.85 114.65 28.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 110.258 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -88.45 136.06 33.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.71 161.07 36.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.984 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -123.42 126.16 46.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.567 1.167 . . . . 0.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.433 ' HG2' ' OG ' ' A' ' 45' ' ' SER . 0.4 OUTLIER -110.38 -42.98 3.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 0.0 110.287 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.433 ' OG ' ' HG2' ' A' ' 44' ' ' GLU . 0.9 OUTLIER -128.54 165.9 19.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.057 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 11.0 p -66.14 119.14 10.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.63 2.15 89.98 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.459 1.1 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.469 ' HG2' ' CD1' ' A' ' 81' ' ' LEU . 32.9 mt-10 -114.29 138.42 50.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 0.758 . . . . 0.0 110.314 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.0 m -134.81 155.65 38.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.499 ' CE2' HD11 ' A' ' 79' ' ' LEU . 4.8 m-85 -125.8 131.62 52.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.2 mt -114.69 119.56 61.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.338 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.402 ' HE3' ' CE1' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -135.57 144.88 46.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.4 135.23 36.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.009 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.1 p -90.49 -13.69 34.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.398 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -80.36 -69.54 0.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.27 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 56.0 p -79.35 -62.01 1.83 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.398 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 120.3 47.7 0.33 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.423 1.077 . . . . 0.0 111.03 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -122.93 137.83 54.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 0.783 . . . . 0.0 110.279 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.402 ' CE1' ' HE3' ' A' ' 52' ' ' LYS . 90.8 m-85 -84.5 139.8 31.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.8 tp -77.32 118.77 20.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -140.55 155.49 46.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 40.3 ttm -113.2 116.11 29.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.22 -164.62 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 69.8 p -85.73 -20.5 29.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.409 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.498 ' CB ' ' CD1' ' A' ' 67' ' ' LEU . 6.1 m-20 -69.9 -8.56 49.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 84.55 -0.95 89.2 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.489 1.118 . . . . 0.0 110.963 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.498 ' CD1' ' CB ' ' A' ' 65' ' ' ASP . 4.1 mp -87.66 173.51 8.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 0.776 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.0 mt -110.93 137.67 48.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.56 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 2.1 p90 -149.29 163.13 38.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -94.12 123.91 7.67 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.554 1.159 . . . . 0.0 111.025 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 10.4 t -86.21 140.11 30.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 0.774 . . . . 0.0 109.989 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.26 -40.0 80.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.266 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.1 p -126.65 164.5 34.19 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.419 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 103.5 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.557 1.819 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -113.46 157.74 21.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.69 -24.24 2.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.303 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -67.33 -16.08 64.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 110.304 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 73.8 m -89.62 -14.27 35.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 108.305 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.499 HD11 ' CE2' ' A' ' 50' ' ' TYR . 3.7 tp -86.7 126.71 34.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -126.8 165.55 19.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.424 1.078 . . . . 0.0 111.021 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.469 ' CD1' ' HG2' ' A' ' 48' ' ' GLU . 0.7 OUTLIER -103.4 124.25 48.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.441 ' OE2' ' N ' ' A' ' 83' ' ' ARG . 2.8 tm-20 -108.7 150.27 27.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.293 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.441 ' N ' ' OE2' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -153.95 150.0 27.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.1 tt -91.9 128.15 37.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -97.79 158.36 15.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -82.27 50.58 1.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 110.285 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -159.95 27.45 0.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 22.5 t-160 52.42 48.61 22.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.549 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.503 ' CG ' ' HB3' ' A' ' 126' ' ' LEU . 2.2 m-85 -144.28 143.15 30.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -111.22 150.77 29.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.248 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 34.4 p -127.44 164.64 21.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.405 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -144.82 133.38 22.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 111.015 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.48 HD12 ' CE2' ' A' ' 103' ' ' PHE . 59.9 mt -132.2 133.73 60.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.7 t -59.54 140.03 56.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.008 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.88 -68.48 0.38 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.551 ' HB3' ' CD2' ' A' ' 97' ' ' HIS . 0.0 OUTLIER -47.06 -28.95 1.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.553 ' CD2' ' N ' ' A' ' 97' ' ' HIS . 0.2 OUTLIER -121.99 53.61 1.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.563 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -92.93 -35.86 13.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.54 -10.29 59.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.273 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.506 ' HD2' ' CZ2' ' A' ' 102' ' ' TRP . 30.6 mttt -90.06 -5.34 56.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 51.77 64.68 1.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.506 ' CZ2' ' HD2' ' A' ' 100' ' ' LYS . 46.2 m0 -112.28 131.58 55.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 108.021 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.576 ' CD2' ' HB ' ' A' ' 125' ' ' ILE . 70.0 m-85 -114.13 148.84 36.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.484 ' O ' ' C ' ' A' ' 105' ' ' GLY . 37.9 t -72.59 -20.59 19.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.571 ' HA2' ' CE1' ' A' ' 127' ' ' PHE . . . -30.61 145.61 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.479 HD22 ' CD1' ' A' ' 18' ' ' LEU . 1.2 mt -107.02 160.34 15.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 0.765 . . . . 0.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 111' ' ' SER . 7.8 mmmt -63.96 -157.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.497 ' CG ' ' O ' ' A' ' 13' ' ' ASN . 0.6 OUTLIER -117.74 -6.26 11.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 14.8 m-20 -96.31 13.41 27.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 77.18 40.51 24.24 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.499 1.125 . . . . 0.0 111.03 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 107' ' ' LYS . 0.6 OUTLIER -137.83 162.62 33.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 0.778 . . . . 0.0 109.989 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 26.1 p -78.09 135.05 37.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 108.296 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 114' ' ' ARG . 0.4 OUTLIER -90.94 119.03 30.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -38.44 137.93 0.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.33 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . 0.47 ' C ' ' H ' ' A' ' 117' ' ' ARG . . . -52.75 -56.32 18.82 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.495 1.122 . . . . 0.0 111.033 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.416 ' O ' ' HG2' ' A' ' 117' ' ' ARG . 18.1 Cg_endo -75.0 38.13 0.51 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.496 1.787 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.47 ' H ' ' C ' ' A' ' 115' ' ' GLY . 5.1 mtm180 -144.65 18.01 1.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.297 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.1 p -117.04 161.35 19.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.371 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -166.07 -170.97 1.86 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.617 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -92.49 136.88 32.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 111.023 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 113.46 -5.26 24.8 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -97.81 152.06 19.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 0.772 . . . . 0.0 110.292 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 8.2 tppt? -90.16 5.29 47.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.254 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -83.86 -44.37 14.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.576 ' HB ' ' CD2' ' A' ' 103' ' ' PHE . 4.0 pt -64.21 -35.99 75.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.503 ' HB3' ' CG ' ' A' ' 89' ' ' TYR . 73.8 mt -66.19 107.14 1.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.571 ' CE1' ' HA2' ' A' ' 105' ' ' GLY . 1.6 m-30 -118.64 130.54 55.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 111.002 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.501 ' O ' ' CD2' ' A' ' 130' ' ' LEU . 0.7 OUTLIER -114.07 118.75 41.9 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 120.89 6.27 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.55 1.816 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.501 ' CD2' ' O ' ' A' ' 128' ' ' LEU . 3.8 mm? -101.91 142.77 25.26 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 130' ' ' LEU . 18.2 Cg_endo -75.07 139.52 24.21 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.48 1.779 . . . . 0.0 110.988 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.454 ' HB ' ' CD2' ' A' ' 8' ' ' LEU . 1.4 p . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.887 0 N-CA-C 111.046 -0.406 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.36 161.38 39.77 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -120.59 137.06 54.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -91.14 110.32 21.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.287 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.492 ' CZ ' ' HA ' ' A' ' 12' ' ' SER . 12.7 t80 -85.14 127.3 34.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.991 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 13' ' ' ASN . 16.8 t -109.43 74.03 0.88 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 108.328 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.492 ' HA ' ' CZ ' ' A' ' 10' ' ' TYR . 45.9 t -38.11 -31.12 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.105 . . . . 0.0 110.021 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 11' ' ' CYS . 54.9 t30 -40.71 -65.87 0.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.142 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -115.1 -18.81 6.15 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.534 1.146 . . . . 0.0 110.982 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 84.66 70.75 1.33 Allowed Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 43.6 m80 -148.61 152.69 37.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 0.753 . . . . 0.0 109.578 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -100.55 141.96 32.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 111.02 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.462 ' CD1' ' CD2' ' A' ' 106' ' ' LEU . 10.0 tp -78.48 118.23 20.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.459 ' HB3' ' CG2' ' A' ' 37' ' ' ILE . 3.3 ptm180 -120.43 153.94 35.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 34.6 mt -124.63 112.96 34.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.337 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.474 HD11 ' CG2' ' A' ' 25' ' ' THR . 26.9 mt -78.33 157.65 77.64 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -8.47 20.05 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.531 1.806 . . . . 0.0 111.005 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -90.53 8.17 35.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.86 43.04 29.04 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.517 1.136 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.474 ' CG2' HD11 ' A' ' 21' ' ' LEU . 4.8 m -123.0 147.71 46.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 0.771 . . . . 0.0 110.405 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.5 t -131.2 118.32 40.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.11 . . . . 0.0 109.328 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -147.6 160.39 42.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.94 155.41 33.16 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.451 1.094 . . . . 0.0 111.003 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.472 ' CG2' HG22 ' A' ' 37' ' ' ILE . 1.5 t -161.04 143.98 12.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.768 . . . . 0.0 110.374 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 21.0 ptt-85 -125.13 13.06 8.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.302 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 33' ' ' SER . 2.0 t0 -68.82 -21.45 64.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.461 ' O ' ' N ' ' A' ' 34' ' ' ASP . 5.3 mtm180 66.22 -61.2 0.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.576 1.173 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 31' ' ' ASP . 0.3 OUTLIER -38.5 -30.13 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.013 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 32' ' ' ARG . 0.2 OUTLIER -43.03 120.02 1.68 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.325 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -92.92 41.18 1.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.241 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.468 ' N ' ' ND1' ' A' ' 36' ' ' HIS . 0.0 OUTLIER -140.04 -46.73 0.44 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.611 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.472 HG22 ' CG2' ' A' ' 29' ' ' THR . 26.8 pt -39.46 -32.78 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.412 ' N ' ' C ' ' A' ' 36' ' ' HIS . 74.8 mt-30 -54.49 88.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.272 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 37' ' ' ILE . 51.3 mt -98.87 146.98 25.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.449 ' HB2' ' CG2' ' A' ' 54' ' ' THR . 0.0 OUTLIER -106.15 117.5 34.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.316 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.49 136.15 33.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.0 m -135.41 160.69 37.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.928 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -123.63 126.55 46.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -109.97 -46.44 3.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.242 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.58 165.45 18.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.137 . . . . 0.0 110.026 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.9 p -63.64 121.75 13.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.57 6.53 88.96 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.452 1.095 . . . . 0.0 111.026 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.415 ' OE1' ' CE ' ' A' ' 95' ' ' LYS . 13.6 mt-10 -116.0 142.91 46.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 0.765 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 25.6 m -141.31 155.06 20.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -123.89 134.27 53.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.3 mt -116.39 115.51 49.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.355 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.25 148.16 52.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.4 m -79.78 137.13 36.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.976 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.449 ' CG2' ' HB2' ' A' ' 40' ' ' GLN . 72.6 p -94.05 -3.31 51.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 110.374 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -103.82 -66.85 0.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.319 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.1 p -68.34 -64.53 0.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.397 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 114.66 50.71 0.48 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -134.4 141.0 46.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 0.742 . . . . 0.0 110.337 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -84.58 139.58 32.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 110.978 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.9 tp -77.25 118.33 19.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -139.44 150.44 45.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 34.8 ttm -104.68 119.8 39.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.37 173.43 9.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.14 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 77.3 p -68.24 -19.46 64.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.372 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.453 ' HB3' ' CD1' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -71.89 -6.73 43.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.26 7.42 86.75 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.453 ' CD1' ' HB3' ' A' ' 65' ' ' ASP . 5.3 mp -99.82 167.21 10.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 0.741 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.446 ' CD1' HG11 ' A' ' 104' ' ' VAL . 21.6 mt -104.69 142.2 35.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.569 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 1.6 p90 -153.15 150.35 28.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 111.03 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -81.78 123.29 6.0 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.453 1.095 . . . . 0.0 111.003 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.7 t -88.56 140.16 29.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 0.753 . . . . 0.0 109.998 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -63.86 -37.61 88.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 110.283 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.2 p -124.2 160.8 50.76 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.386 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 109.42 2.93 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.487 1.782 . . . . 0.0 111.027 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -120.24 157.12 29.79 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.454 1.096 . . . . 0.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.99 -29.81 3.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.095 . . . . 0.0 110.302 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -60.88 -26.6 67.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 39.7 m -81.23 -15.48 55.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 108.238 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.9 tp -86.51 118.82 26.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -117.71 165.03 14.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 111.02 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.42 ' CD2' ' O ' ' A' ' 93' ' ' ILE . 0.4 OUTLIER -103.71 124.99 49.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.08 142.52 39.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -146.77 166.41 26.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.403 HD23 ' N ' ' A' ' 85' ' ' GLU . 1.1 tm? -92.73 110.75 22.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.502 ' CG ' HG21 ' A' ' 91' ' ' THR . 15.1 mt-10 -107.45 144.12 34.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.276 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.507 ' O ' ' CB ' ' A' ' 87' ' ' ASN . 30.9 mt-10 -47.01 172.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.269 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.507 ' CB ' ' O ' ' A' ' 86' ' ' GLU . 14.9 t-20 82.53 -0.33 1.33 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 1.1 t60 70.47 39.91 1.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.592 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.532 ' CD1' ' HB2' ' A' ' 128' ' ' LEU . 9.3 m-85 -131.95 167.87 18.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -113.51 173.48 6.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.595 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 2.7 p -140.05 166.72 23.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.388 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.595 ' CD1' ' O ' ' A' ' 91' ' ' THR . 25.1 m-85 -147.2 133.12 19.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.497 HD11 ' CE1' ' A' ' 103' ' ' PHE . 54.5 mt -136.93 135.64 48.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.85 138.76 58.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.985 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.415 ' CE ' ' OE1' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -65.09 -67.97 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.521 ' HB3' ' CD2' ' A' ' 97' ' ' HIS . 10.7 tttt -50.53 -29.67 11.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.552 ' CD2' ' N ' ' A' ' 97' ' ' HIS . 0.2 OUTLIER -120.58 59.3 0.91 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.448 1.092 . . . . 0.0 109.582 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -102.03 -51.47 3.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.253 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -55.09 -22.54 16.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 110.286 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.522 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 2.4 mtpt -78.18 0.01 26.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 44.91 64.7 1.29 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.522 ' CD1' ' O ' ' A' ' 100' ' ' LYS . 46.8 m0 -111.87 131.81 55.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 107.995 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.497 ' CE1' HD11 ' A' ' 93' ' ' ILE . 98.1 m-85 -114.27 144.45 43.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.446 HG11 ' CD1' ' A' ' 68' ' ' LEU . 67.7 t -62.5 -84.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 104' ' ' VAL . . . 51.1 173.04 0.01 OUTLIER Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.517 1.135 . . . . 0.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.462 ' CD2' ' CD1' ' A' ' 18' ' ' LEU . 8.9 mt -138.6 132.42 31.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 0.788 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 111' ' ' SER . 15.9 mttt -54.64 -170.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 22.1 mtmt -97.09 -8.57 29.94 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -89.98 13.38 14.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.342 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 69.61 39.8 78.05 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.483 1.115 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 107' ' ' LYS . 0.6 OUTLIER -136.44 165.29 26.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 0.782 . . . . 0.0 110.003 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . 0.445 ' HA ' ' CD2' ' A' ' 106' ' ' LEU . 29.8 p -71.17 135.55 47.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 108.331 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 114' ' ' ARG . 4.0 tttp -89.89 124.36 34.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.443 ' CB ' ' HG3' ' A' ' 117' ' ' ARG . 0.0 OUTLIER -36.13 152.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . 0.521 ' N ' ' CD ' ' A' ' 116' ' ' PRO . . . -74.9 -49.74 9.7 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.455 1.097 . . . . 0.0 111.039 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.521 ' CD ' ' N ' ' A' ' 115' ' ' GLY . 18.2 Cg_endo -75.03 5.06 4.22 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.563 1.823 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.443 ' HG3' ' CB ' ' A' ' 114' ' ' ARG . 8.2 mmt180 -115.46 39.76 2.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.288 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' A' ' 115' ' ' GLY . 16.6 p -125.46 168.47 13.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.412 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -147.52 158.43 43.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.603 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -90.47 114.44 26.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 111.049 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 125.3 -0.38 8.14 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.509 1.131 . . . . 0.0 111.011 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -86.57 154.66 20.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 0.782 . . . . 0.0 110.325 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.444 ' HA ' ' CD1' ' A' ' 126' ' ' LEU . 2.7 ttmp? -80.61 -4.97 56.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.52 -64.06 1.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.595 1.185 . . . . 0.0 109.285 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.487 HG22 ' CG ' ' A' ' 103' ' ' PHE . 6.9 pt -45.31 -26.74 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.24 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.475 ' HB3' ' CB ' ' A' ' 89' ' ' TYR . 48.6 mt -70.86 128.16 35.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -133.75 142.91 48.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.532 ' HB2' ' CD1' ' A' ' 89' ' ' TYR . 0.1 OUTLIER -132.81 115.93 14.58 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 117.45 4.91 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.464 1.771 . . . . 0.0 111.022 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 58.1 mt -89.64 141.87 28.89 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 119.48 5.66 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.558 1.82 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 1.2 p . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 179.989 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.892 0 N-CA-C 111.013 -0.418 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -143.96 156.83 44.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 mt -108.84 141.12 41.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.549 ' HB3' ' CD2' ' A' ' 127' ' ' PHE . 28.9 mt -91.46 115.96 28.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.43 ' HB2' ' CD2' ' A' ' 130' ' ' LEU . 61.6 t80 -102.15 120.97 41.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.563 1.164 . . . . 0.0 111.005 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 13' ' ' ASN . 7.2 t -88.48 77.68 8.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 108.3 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.49 ' OG ' ' CG ' ' A' ' 123' ' ' LYS . 80.5 p -37.97 -30.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.957 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 11' ' ' CYS . 34.6 t30 -47.02 -47.98 22.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -123.79 -38.3 0.54 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.479 1.112 . . . . 0.0 111.042 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 11' ' ' CYS . . . 98.98 76.37 1.25 Allowed Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 70.2 m80 -151.34 156.96 41.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 0.0 109.625 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -103.25 143.28 32.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.977 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.453 HD21 ' CD1' ' A' ' 60' ' ' LEU . 15.9 tp -77.44 114.57 16.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.8 ttp180 -109.25 141.95 40.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 110.249 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 8.8 mt -123.67 115.65 45.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.437 HD13 ' CG2' ' A' ' 25' ' ' THR . 20.3 mt -90.34 157.51 44.79 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.468 ' CB ' HG23 ' A' ' 56' ' ' THR . 18.3 Cg_endo -74.98 -8.55 20.2 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.546 1.814 . . . . 0.0 110.983 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.66 7.5 33.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.43 40.64 32.46 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.498 1.124 . . . . 0.0 111.02 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.437 ' CG2' HD13 ' A' ' 21' ' ' LEU . 3.5 m -121.82 142.93 49.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 0.751 . . . . 0.0 110.429 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.472 ' CG2' ' O ' ' A' ' 68' ' ' LEU . 9.8 t -135.2 119.08 25.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -148.21 162.35 39.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.342 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -79.2 149.62 32.68 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.554 ' CG2' ' CG2' ' A' ' 37' ' ' ILE . 5.4 t -161.13 106.37 1.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.771 . . . . 0.0 110.446 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.8 41.92 1.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.343 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 33' ' ' SER . 2.1 t70 -95.42 -15.44 22.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 33' ' ' SER . 3.1 mtm105 66.4 -60.79 0.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 31' ' ' ASP . 0.4 OUTLIER -35.47 -38.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.53 144.25 3.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.09 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 70.5 mm-40 -107.47 -27.6 10.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 110.318 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 16.5 m80 -67.43 -14.65 63.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.577 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.554 ' CG2' ' CG2' ' A' ' 29' ' ' THR . 37.0 pt -73.61 -26.5 21.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.36 102.95 0.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.462 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 21.6 mt -114.82 146.92 40.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.475 ' HG2' ' CG2' ' A' ' 54' ' ' THR . 0.0 OUTLIER -105.36 114.95 29.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.304 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.39 136.24 33.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 50' ' ' TYR . 6.3 m -139.75 156.77 46.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 110.011 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -116.26 127.25 54.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -110.07 -47.55 3.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.317 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.405 ' OG ' ' OE1' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -120.16 166.02 14.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.948 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 49.9 t -66.45 119.71 12.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.15 7.92 88.09 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.51 1.132 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.405 ' OE1' ' OG ' ' A' ' 45' ' ' SER . 22.9 mt-10 -118.39 140.56 49.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 0.784 . . . . 0.0 110.28 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.3 m -134.43 163.3 37.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.429 ' N ' ' O ' ' A' ' 42' ' ' SER . 3.8 m-85 -131.15 131.93 44.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 111.037 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.2 mt -113.39 115.47 49.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.403 ' HG2' ' N ' ' A' ' 53' ' ' SER . 7.3 tttp -128.59 143.66 51.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.462 ' HA ' ' CD2' ' A' ' 39' ' ' LEU . 1.1 t -79.25 127.69 32.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.014 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.475 ' CG2' ' HG2' ' A' ' 40' ' ' GLN . 63.0 p -84.99 8.75 16.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 110.396 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -111.04 -67.84 0.97 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.286 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.468 HG23 ' CB ' ' A' ' 22' ' ' PRO . 26.6 p -74.66 -45.16 46.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.37 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 99.57 33.68 5.26 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -108.93 165.78 11.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 0.746 . . . . 0.0 110.326 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -108.15 138.22 44.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 111.023 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.453 ' CD1' HD21 ' A' ' 18' ' ' LEU . 7.6 tp -77.14 115.9 17.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -136.87 148.72 47.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 33.9 ttm -104.72 115.91 31.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 111.033 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.411 ' CG ' ' CE2' ' A' ' 69' ' ' TYR . 0.4 OUTLIER -68.53 -167.41 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 43.1 p -83.72 -10.19 58.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.418 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.482 ' CB ' HD11 ' A' ' 67' ' ' LEU . 34.9 m-20 -85.34 -4.59 59.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.462 ' HA3' ' CD ' ' A' ' 116' ' ' PRO . . . 81.17 2.09 90.31 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.48 1.112 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.482 HD11 ' CB ' ' A' ' 65' ' ' ASP . 3.9 mp -87.01 164.95 16.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 0.76 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.472 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 23.2 mt -106.74 126.08 51.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.551 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 2.8 p90 -136.89 163.11 31.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 111.013 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -92.54 127.68 9.07 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 111.029 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.6 t -92.49 140.58 29.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 0.795 . . . . 0.0 109.971 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -73.09 -34.22 66.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.2 p -121.22 158.44 53.02 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.405 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 113.14 3.72 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.461 1.769 . . . . 0.0 111.05 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -126.62 154.2 44.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.61 -25.73 1.25 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 110.245 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.509 ' O ' ' CE1' ' A' ' 80' ' ' PHE . 41.4 mt-10 -62.62 -30.39 71.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.097 . . . . 0.0 110.343 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 55.9 m -77.08 -16.86 59.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 108.329 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.4 tp -90.43 120.42 31.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.256 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.509 ' CE1' ' O ' ' A' ' 77' ' ' GLU . 20.8 m-85 -121.17 164.14 17.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 111.004 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.436 ' CD2' ' O ' ' A' ' 93' ' ' ILE . 0.1 OUTLIER -104.55 126.19 51.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -109.05 152.56 24.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 110.331 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.55 165.16 37.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.302 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.52 133.25 42.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.407 ' O ' ' O ' ' A' ' 86' ' ' GLU . 2.0 mt-10 -114.78 166.19 12.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.407 ' O ' ' O ' ' A' ' 85' ' ' GLU . 0.6 OUTLIER -45.77 172.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.306 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 66.36 -83.93 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 170.37 41.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.597 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.57 ' CD1' HD12 ' A' ' 128' ' ' LEU . 24.4 m-85 -112.47 164.21 13.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 111.019 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -121.51 162.05 21.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 109.276 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.97 167.12 20.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 110.434 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -147.49 132.86 18.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.472 ' CG2' ' HA ' ' A' ' 98' ' ' ALA . 54.8 mt -133.19 140.95 45.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.41 ' O ' ' N ' ' A' ' 98' ' ' ALA . 8.8 t -73.26 138.07 45.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.963 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -62.87 -76.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.548 ' HB3' ' CD2' ' A' ' 97' ' ' HIS . 7.3 mttt -43.05 -30.15 0.41 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.162 . . . . 0.0 109.264 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.548 ' CD2' ' HB3' ' A' ' 96' ' ' LYS . 0.3 OUTLIER -123.39 59.26 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.58 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.472 ' HA ' ' CG2' ' A' ' 93' ' ' ILE . . . -95.56 -55.63 2.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -54.91 -20.07 8.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 110.28 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -74.41 -3.69 32.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 48.7 65.44 1.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.351 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 43.9 m0 -111.3 138.27 47.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 108.011 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.529 ' CG ' HG21 ' A' ' 125' ' ' ILE . 86.0 m-85 -121.72 149.29 43.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 111.035 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.576 ' O ' ' CZ ' ' A' ' 127' ' ' PHE . 24.6 t -91.43 91.7 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -126.74 166.46 19.52 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.472 1.108 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.449 ' CD2' ' HA ' ' A' ' 112' ' ' CYS . 2.6 mt -128.61 133.66 48.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 0.778 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 111' ' ' SER . 0.7 OUTLIER -55.55 -172.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -94.09 -9.59 36.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.262 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -91.73 21.44 4.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 63.93 32.91 85.77 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.526 1.141 . . . . 0.0 110.962 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 107' ' ' LYS . 0.4 OUTLIER -120.77 165.25 15.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 0.768 . . . . 0.0 109.989 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . 0.449 ' HA ' ' CD2' ' A' ' 106' ' ' LEU . 21.8 p -76.25 134.24 39.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 108.258 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.456 ' HD3' ' CG2' ' A' ' 118' ' ' THR . 7.0 tttp -91.43 112.43 24.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.444 ' CB ' ' HG3' ' A' ' 117' ' ' ARG . 1.8 mpp_? -37.21 134.52 0.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . 0.477 ' N ' ' CD ' ' A' ' 116' ' ' PRO . . . -56.77 -52.51 50.29 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.511 1.132 . . . . 0.0 111.047 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.477 ' CD ' ' N ' ' A' ' 115' ' ' GLY . 18.4 Cg_endo -75.01 35.66 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.482 1.78 . . . . 0.0 111.027 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.472 ' H ' ' C ' ' A' ' 115' ' ' GLY . 6.7 mmm180 -142.86 19.95 1.98 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.342 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.456 ' CG2' ' HD3' ' A' ' 113' ' ' LYS . 1.0 OUTLIER -118.88 164.67 15.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.387 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -147.69 166.07 28.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.565 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -85.03 114.28 22.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 110.967 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 132.11 -13.51 5.22 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.469 1.105 . . . . 0.0 110.987 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -81.05 162.58 23.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 0.764 . . . . 0.0 110.307 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.49 ' CG ' ' OG ' ' A' ' 12' ' ' SER . 5.4 ttmt -89.31 -0.39 57.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.78 -61.1 2.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.529 HG21 ' CG ' ' A' ' 103' ' ' PHE . 4.4 pt -52.66 -26.9 11.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.145 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.508 ' HB3' ' CG ' ' A' ' 89' ' ' TYR . 37.7 mt -71.57 107.99 4.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.576 ' CZ ' ' O ' ' A' ' 104' ' ' VAL . 1.3 m-30 -116.01 126.4 53.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.57 HD12 ' CD1' ' A' ' 89' ' ' TYR . 3.0 tp -107.46 115.68 59.08 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 120.54 6.11 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.496 1.787 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.448 ' CD2' ' O ' ' A' ' 128' ' ' LEU . 3.9 mm? -97.7 134.63 22.19 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 104.3 1.88 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.483 1.78 . . . . 0.0 110.962 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.423 ' HG2' ' CG1' ' A' ' 132' ' ' VAL . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.884 0 N-CA-C 110.977 -0.432 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.36 153.44 42.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.142 . . . . 0.0 109.333 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.46 144.14 39.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.505 ' HB3' ' CD2' ' A' ' 127' ' ' PHE . 21.8 mt -91.79 122.89 34.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.487 ' O ' ' CD1' ' A' ' 127' ' ' PHE . 8.9 t80 -96.21 160.15 14.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 111.046 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 13' ' ' ASN . 46.5 t -138.95 74.68 1.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 108.312 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 11' ' ' CYS . 1.4 p -37.08 -32.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.021 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 11' ' ' CYS . 15.4 t30 -40.34 -67.06 0.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.571 1.169 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -115.55 -22.31 4.8 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.504 1.127 . . . . 0.0 110.968 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 11' ' ' CYS . . . 86.86 75.24 1.27 Allowed Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.512 ' CD2' ' HG2' ' A' ' 30' ' ' ARG . 12.0 m80 -143.71 159.73 41.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 0.751 . . . . 0.0 109.581 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -106.9 140.02 40.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.967 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.404 ' CD2' HG13 ' A' ' 104' ' ' VAL . 16.7 tp -78.69 115.59 18.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.477 ' CZ ' HD23 ' A' ' 21' ' ' LEU . 2.2 ptm180 -116.46 150.46 37.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.349 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 9.5 mt -124.36 113.15 35.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 109.269 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.477 HD23 ' CZ ' ' A' ' 19' ' ' ARG . 18.7 mt -80.47 156.45 73.44 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.44 ' CB ' HG22 ' A' ' 56' ' ' THR . 18.5 Cg_endo -74.93 -2.72 12.9 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.49 1.784 . . . . 0.0 111.04 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.52 2.83 55.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.0 43.93 8.5 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.477 1.11 . . . . 0.0 110.966 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.471 ' CG2' HD13 ' A' ' 21' ' ' LEU . 3.0 m -123.93 144.88 49.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 0.773 . . . . 0.0 110.371 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.0 t -134.78 117.49 23.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -148.36 162.09 40.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 110' ' ' GLY . . . -86.35 151.83 24.85 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.513 1.133 . . . . 0.0 110.949 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 t -158.42 148.36 19.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 0.779 . . . . 0.0 110.402 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.512 ' HG2' ' CD2' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -130.89 48.89 2.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.298 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 33' ' ' SER . 4.2 t0 -105.14 -17.84 14.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 109.264 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 34' ' ' ASP . 7.1 mtm180 65.21 -65.89 0.15 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.559 1.162 . . . . 0.0 110.266 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 31' ' ' ASP . 0.2 OUTLIER -36.54 -33.56 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.995 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 32' ' ' ARG . 3.0 t0 -43.69 127.68 5.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.403 ' O ' ' OE1' ' A' ' 55' ' ' GLU . 41.6 mm-40 -101.6 35.42 2.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 110.323 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.416 ' CD2' ' HG2' ' A' ' 55' ' ' GLU . 40.2 m80 -142.89 17.61 1.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.161 . . . . 0.0 109.638 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.463 ' CG2' ' HB3' ' A' ' 19' ' ' ARG . 19.8 pt -106.09 -18.94 6.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -67.89 98.65 0.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.295 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 81.9 mt -106.27 147.0 29.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.467 ' HB2' ' CG2' ' A' ' 54' ' ' THR . 0.0 OUTLIER -106.52 114.65 28.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -93.25 136.21 33.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.2 m -141.32 159.69 41.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.995 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -116.52 129.01 55.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.555 1.16 . . . . 0.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.426 ' HG2' ' OG ' ' A' ' 45' ' ' SER . 0.5 OUTLIER -113.15 -41.12 3.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 110.254 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.426 ' OG ' ' HG2' ' A' ' 44' ' ' GLU . 0.9 OUTLIER -128.53 165.99 19.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.432 1.082 . . . . 0.0 109.985 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.1 t -63.97 117.12 4.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.44 1.088 . . . . 0.0 109.316 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.18 9.38 86.67 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.463 1.102 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -116.56 140.93 48.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 0.762 . . . . 0.0 110.304 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 19.9 m -137.74 152.54 26.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -122.33 132.69 54.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.7 mt -112.44 125.18 69.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -135.35 140.84 45.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.26 121.38 24.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.043 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.467 ' CG2' ' HB2' ' A' ' 40' ' ' GLN . 68.4 p -81.45 -3.6 53.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.358 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.416 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 11.0 tp10 -99.74 -69.61 0.76 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.44 HG22 ' CB ' ' A' ' 22' ' ' PRO . 22.2 p -70.38 -62.37 1.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.425 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 120.29 38.88 0.66 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -121.92 164.8 16.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 0.747 . . . . 0.0 110.294 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -108.13 141.05 40.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.3 tp -77.02 113.05 14.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.105 . . . . 0.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -134.69 152.47 51.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 36.6 tpp -104.11 136.93 42.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.529 ' CG ' ' CE2' ' A' ' 69' ' ' TYR . 0.7 OUTLIER -91.52 -170.38 2.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 58.0 p -81.45 -21.12 39.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.429 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.451 ' CB ' HD21 ' A' ' 67' ' ' LEU . 2.2 m-20 -77.38 -2.88 37.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 81.51 -2.44 82.4 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.538 1.149 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.451 HD21 ' CB ' ' A' ' 65' ' ' ASP . 0.5 OUTLIER -85.67 156.26 20.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 0.792 . . . . 0.0 109.313 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.433 ' CD1' HG12 ' A' ' 104' ' ' VAL . 35.3 mt -96.15 142.17 28.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.554 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 2.9 p90 -151.06 162.19 41.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.975 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -93.98 130.41 10.3 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.8 t -96.08 139.89 31.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 0.784 . . . . 0.0 110.023 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -70.33 -34.9 73.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.3 p -120.59 159.06 49.86 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.415 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 111.79 3.41 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.501 1.79 . . . . 0.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -124.53 154.57 40.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.41 -25.4 1.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.323 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.426 ' O ' ' CE1' ' A' ' 80' ' ' PHE . 25.2 mt-10 -65.11 -27.82 69.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.097 . . . . 0.0 110.295 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 63.6 m -79.56 -15.63 57.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 108.288 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.0 tp -89.8 124.87 35.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.426 ' CE1' ' O ' ' A' ' 77' ' ' GLU . 13.0 m-85 -125.0 165.04 18.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.575 1.172 . . . . 0.0 110.997 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.93 129.73 51.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.55 146.18 36.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.322 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.499 ' HG3' ' N ' ' A' ' 84' ' ' LEU . 16.1 tpt180 -143.86 151.08 39.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.499 ' N ' ' HG3' ' A' ' 83' ' ' ARG . 0.6 OUTLIER -95.45 126.26 40.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -99.52 160.72 14.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.247 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -83.83 51.09 1.95 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -158.08 26.55 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 59.2 m-70 53.37 43.41 31.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.566 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.418 ' CE1' HD11 ' A' ' 128' ' ' LEU . 4.3 m-85 -143.81 143.69 31.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.437 ' N ' ' OD1' ' A' ' 90' ' ' ASN . 0.7 OUTLIER -114.48 156.86 23.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 109.352 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 60.5 p -126.67 170.67 11.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 110.361 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -143.64 133.12 23.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.54 HD11 ' CE2' ' A' ' 103' ' ' PHE . 16.6 mt -131.27 140.3 48.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.6 t -66.49 138.74 57.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 109.981 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -72.46 0.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.573 ' HB3' ' CD2' ' A' ' 97' ' ' HIS . 2.6 tttt -44.26 -29.14 0.61 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 109.254 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.573 ' CD2' ' HB3' ' A' ' 96' ' ' LYS . 0.2 OUTLIER -122.02 51.14 1.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.615 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -84.15 -48.08 10.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -65.97 -10.52 40.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.278 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.542 ' HD2' ' CZ2' ' A' ' 102' ' ' TRP . 14.4 mttt -83.12 -9.7 59.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 52.71 63.77 2.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.165 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.567 ' CD1' ' C ' ' A' ' 115' ' ' GLY . 46.0 m0 -113.21 131.83 55.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 107.994 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.54 ' CE2' HD11 ' A' ' 93' ' ' ILE . 64.8 m-85 -116.78 148.96 40.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.985 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.471 ' O ' ' C ' ' A' ' 105' ' ' GLY . 8.3 t -76.49 -17.72 14.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.145 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.565 ' HA2' ' CE1' ' A' ' 127' ' ' PHE . . . -31.96 139.92 0.06 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.406 ' CD2' ' HA ' ' A' ' 112' ' ' CYS . 1.1 mt -106.83 160.72 15.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 0.765 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 111' ' ' SER . 20.1 mttt -72.45 -170.82 0.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.436 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 0.3 OUTLIER -74.66 -29.87 61.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.421 1.076 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.416 ' N ' ' HG3' ' A' ' 108' ' ' LYS . 16.2 p-10 -83.89 16.03 3.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . 62.25 43.53 98.97 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.533 1.146 . . . . 0.0 111.037 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 107' ' ' LYS . 0.4 OUTLIER -112.94 147.16 37.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 0.784 . . . . 0.0 109.982 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . 0.406 ' HA ' ' CD2' ' A' ' 106' ' ' LEU . 18.4 p -65.96 128.87 37.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 108.307 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.408 ' HD3' ' CG2' ' A' ' 118' ' ' THR . 10.4 tttp -90.48 115.82 27.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.431 ' CB ' ' HG3' ' A' ' 117' ' ' ARG . 0.1 OUTLIER -38.38 132.13 1.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.32 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . 0.567 ' C ' ' CD1' ' A' ' 102' ' ' TRP . . . -46.94 -59.07 5.8 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 34.21 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.527 1.804 . . . . 0.0 111.06 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.491 ' H ' ' C ' ' A' ' 115' ' ' GLY . 5.9 mmm180 -143.12 19.35 1.93 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 110.277 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.408 ' CG2' ' HD3' ' A' ' 113' ' ' LYS . 2.9 p -125.84 163.19 23.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.411 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -169.01 -171.42 1.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.596 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -87.93 144.64 26.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 111.001 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 108.8 -22.97 24.92 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.515 1.134 . . . . 0.0 110.972 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -79.57 144.64 33.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 0.78 . . . . 0.0 110.287 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 21.8 ttmt -92.7 28.68 1.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.451 ' O ' ' CA ' ' A' ' 105' ' ' GLY . . . -106.73 -31.0 8.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.137 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.499 HD11 ' CE2' ' A' ' 103' ' ' PHE . 15.7 pt -77.56 -27.65 15.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 76.7 mt -65.47 103.95 0.91 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.11 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.565 ' CE1' ' HA2' ' A' ' 105' ' ' GLY . 2.2 m-30 -115.9 149.8 38.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.939 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.418 HD11 ' CE1' ' A' ' 89' ' ' TYR . 0.5 OUTLIER -131.11 115.61 16.5 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 107.21 2.43 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.509 1.794 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.471 ' CD2' ' HB2' ' A' ' 10' ' ' TYR . 2.1 mm? -87.34 141.59 32.7 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 130' ' ' LEU . 18.1 Cg_endo -75.06 128.08 11.15 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.474 1.776 . . . . 0.0 110.973 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.423 ' CG1' ' HG2' ' A' ' 6' ' ' PRO . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.893 0 N-CA-C 110.987 -0.428 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.28 164.03 29.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.444 HD22 ' CD1' ' A' ' 37' ' ' ILE . 0.8 OUTLIER -109.21 141.78 40.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -91.78 117.78 30.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.338 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.568 ' CE1' ' HA2' ' A' ' 15' ' ' GLY . 64.7 t80 -98.38 154.31 17.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.972 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 15' ' ' GLY . 53.6 t -131.84 79.13 1.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 108.33 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.476 ' HA ' ' CE2' ' A' ' 10' ' ' TYR . 2.1 t -37.88 -32.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.0 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 11' ' ' CYS . 30.9 t30 -42.97 -53.18 4.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -119.71 -35.8 0.88 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.568 ' HA2' ' CE1' ' A' ' 10' ' ' TYR . . . 94.5 65.56 1.01 Allowed Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 55.5 m80 -140.55 162.68 34.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.442 0.73 . . . . 0.0 109.577 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -104.5 143.04 33.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.0 tp -77.78 112.02 14.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.426 ' NE ' HD22 ' A' ' 21' ' ' LEU . 17.9 ttp180 -108.82 140.02 42.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.158 . . . . 0.0 110.313 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 33.7 mt -119.94 103.25 13.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.426 HD22 ' NE ' ' A' ' 19' ' ' ARG . 19.6 mt -74.0 155.3 88.56 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.347 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -0.7 10.3 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.483 1.78 . . . . 0.0 110.984 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -94.8 7.06 47.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.25 36.28 35.33 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.532 1.145 . . . . 0.0 111.02 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.4 m -115.69 146.63 41.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 0.781 . . . . 0.0 110.4 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.2 t -135.38 114.21 16.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.411 1.069 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -148.88 162.81 39.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.63 137.93 17.5 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.52 1.137 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.435 ' CG2' ' CG2' ' A' ' 37' ' ' ILE . 4.4 t -141.36 118.39 11.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 0.758 . . . . 0.0 110.358 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.2 ttt180 -93.98 56.06 2.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.446 ' O ' ' C ' ' A' ' 32' ' ' ARG . 5.7 t0 -142.64 79.91 1.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.459 ' O ' ' C ' ' A' ' 33' ' ' SER . 2.7 mpp_? -35.59 -44.82 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.459 ' C ' ' O ' ' A' ' 32' ' ' ARG . 0.3 OUTLIER -35.07 -41.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.983 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.403 ' OD2' ' NH1' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -43.75 123.12 3.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -92.5 34.91 1.03 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.255 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.563 ' CD2' ' HG2' ' A' ' 55' ' ' GLU . 24.6 m80 -130.37 -45.38 1.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.583 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.452 ' O ' ' N ' ' A' ' 39' ' ' LEU . 30.1 pt -43.33 -27.8 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.434 ' N ' ' C ' ' A' ' 36' ' ' HIS . 5.2 mt-30 -59.63 82.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 37' ' ' ILE . 41.9 mt -88.53 148.04 24.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.255 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.434 ' HB2' ' CG2' ' A' ' 54' ' ' THR . 0.0 OUTLIER -104.43 114.39 28.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.147 . . . . 0.0 110.294 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.445 HD11 ' N ' ' A' ' 41' ' ' LEU . 0.2 OUTLIER -97.18 133.85 41.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.564 1.165 . . . . 0.0 109.26 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.6 m -143.77 156.03 44.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.988 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -114.54 124.53 52.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -108.36 -41.36 4.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.4 ' OG ' ' OE1' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -126.68 163.3 23.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.99 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 55.0 t -62.18 119.8 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.87 13.92 83.13 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.115 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.464 ' HB3' ' CD1' ' A' ' 79' ' ' LEU . 15.4 mt-10 -120.79 136.72 54.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 0.746 . . . . 0.0 110.284 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 32.8 m -136.33 149.29 27.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.52 ' CE2' HD13 ' A' ' 79' ' ' LEU . 7.5 m-85 -116.92 132.02 56.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.2 mt -115.87 121.82 68.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.249 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -142.21 153.46 44.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.28 137.48 33.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.989 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.434 ' CG2' ' HB2' ' A' ' 40' ' ' GLN . 58.6 p -94.45 8.91 40.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 110.442 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.563 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 4.5 tp10 -103.83 -70.64 0.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 27.1 p -74.94 -54.89 6.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.402 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 115.27 41.31 0.82 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.474 1.109 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -115.56 156.44 25.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 0.754 . . . . 0.0 110.314 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.458 ' CE1' ' HB3' ' A' ' 74' ' ' PRO . 54.5 m-85 -103.45 140.88 36.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 110.989 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.0 tp -80.73 116.74 20.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.251 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.441 ' HB3' ' CZ ' ' A' ' 69' ' ' TYR . . . -138.4 155.42 48.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 50.9 ttm -109.95 115.88 30.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.54 ' CG ' ' CE2' ' A' ' 69' ' ' TYR . 1.1 m-20 -69.93 -172.14 0.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.3 p -82.15 -2.23 51.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 110.395 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -86.54 -13.57 45.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.08 -8.43 77.83 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.535 1.147 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.41 HD13 ' N ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -91.68 164.93 13.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 0.778 . . . . 0.0 109.286 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.411 ' CD1' HG12 ' A' ' 104' ' ' VAL . 5.7 mt -101.05 141.73 33.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.54 ' CE2' ' CG ' ' A' ' 63' ' ' ASP . 4.8 p90 -139.71 166.75 23.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.138 . . . . 0.0 111.009 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -89.58 119.7 5.57 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.461 ' OG ' ' O ' ' A' ' 73' ' ' THR . 0.1 OUTLIER -86.83 140.22 29.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 0.751 . . . . 0.0 109.987 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -77.86 -31.19 51.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.28 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.461 ' O ' ' OG ' ' A' ' 71' ' ' SER . 13.7 p -131.95 155.94 80.73 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.425 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.458 ' HB3' ' CE1' ' A' ' 59' ' ' TYR . 18.4 Cg_endo -74.99 110.54 3.14 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.503 1.791 . . . . 0.0 110.977 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 60.3 m-80 -124.29 157.61 34.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -46.32 -25.54 0.66 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.27 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -61.58 -31.78 71.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.323 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.423 ' SG ' ' CB ' ' A' ' 59' ' ' TYR . 24.6 m -75.72 -16.5 60.14 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 108.331 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.52 HD13 ' CE2' ' A' ' 50' ' ' TYR . 4.1 tp -85.29 119.55 25.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -117.84 165.66 13.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.414 ' CD1' ' HG2' ' A' ' 48' ' ' GLU . 1.3 mm? -103.04 123.43 46.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.422 ' HG2' ' N ' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -108.99 144.79 36.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.342 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.422 ' N ' ' HG2' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -142.55 166.23 25.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.354 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.73 112.55 24.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.469 ' HG3' ' CG2' ' A' ' 91' ' ' THR . 8.7 mm-40 -105.29 151.78 23.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -56.25 176.43 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.327 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 68.11 9.81 7.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.127 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 37.5 m170 62.29 61.49 1.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.554 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.511 ' CD1' HD11 ' A' ' 128' ' ' LEU . 2.3 m-85 -143.62 151.5 40.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 110.999 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.403 ' OD1' ' N ' ' A' ' 90' ' ' ASN . 0.8 OUTLIER -113.31 160.29 18.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.27 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.552 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 24.3 p -130.03 171.62 12.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.428 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.552 ' CD1' ' O ' ' A' ' 91' ' ' THR . 33.8 m-85 -149.86 132.98 16.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 111.026 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.542 HD13 ' CE2' ' A' ' 103' ' ' PHE . 34.4 mt -134.33 143.75 37.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.266 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.422 ' N ' HG22 ' A' ' 93' ' ' ILE . 0.2 OUTLIER -69.24 138.71 54.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.039 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.04 -65.35 0.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.572 ' HB3' ' CD2' ' A' ' 97' ' ' HIS . 18.7 tttt -51.2 -22.69 2.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.572 ' CD2' ' HB3' ' A' ' 96' ' ' LYS . 0.1 OUTLIER -123.77 41.53 3.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.572 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 94' ' ' SER . . . -76.64 -41.69 44.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.41 ' O ' ' OD1' ' A' ' 101' ' ' ASN . 4.3 pt-20 -68.84 -22.2 64.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 110.293 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.534 ' HD3' ' CZ2' ' A' ' 102' ' ' TRP . 0.9 OUTLIER -74.56 -9.87 59.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . 0.41 ' OD1' ' O ' ' A' ' 99' ' ' GLU . 0.4 OUTLIER 50.13 65.04 1.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.543 ' CD1' ' HA ' ' A' ' 116' ' ' PRO . 51.2 m0 -111.99 131.98 55.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 108.036 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.542 ' CE2' HD13 ' A' ' 93' ' ' ILE . 88.5 m-85 -115.64 148.2 39.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 111.033 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.411 HG12 ' CD1' ' A' ' 68' ' ' LEU . 40.6 t -87.44 125.78 41.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.485 ' HA2' ' CE1' ' A' ' 127' ' ' PHE . . . -161.15 165.94 35.54 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.54 1.15 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 8.9 mt -134.16 137.11 44.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 0.767 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.2 mmtm -64.84 -168.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -82.73 -23.29 34.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -86.29 7.23 26.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 73.53 35.23 56.04 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.529 1.143 . . . . 0.0 111.018 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 37.5 m -109.2 141.7 41.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.766 . . . . 0.0 110.01 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 17.6 p -66.39 135.25 54.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 108.276 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.436 ' HE3' ' CG2' ' A' ' 118' ' ' THR . 28.5 ttpt -90.1 121.85 32.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 113' ' ' LYS . 0.2 OUTLIER -36.67 132.77 0.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.284 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . 0.58 ' N ' ' CD ' ' A' ' 116' ' ' PRO . . . -61.22 -46.46 94.44 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.443 1.089 . . . . 0.0 110.984 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.58 ' CD ' ' N ' ' A' ' 115' ' ' GLY . 18.2 Cg_endo -75.03 3.01 6.01 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.497 1.788 . . . . 0.0 110.992 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.403 ' HG3' ' CB ' ' A' ' 114' ' ' ARG . 4.9 mmt-85 -115.39 41.38 2.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.361 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.444 ' O ' ' ND1' ' A' ' 119' ' ' HIS . 18.6 p -122.52 166.92 14.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.383 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.444 ' ND1' ' O ' ' A' ' 118' ' ' THR . 0.0 OUTLIER -176.48 175.11 1.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.58 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.418 ' CE1' ' CZ ' ' A' ' 103' ' ' PHE . 30.7 m-85 -88.22 123.36 32.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.988 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 133.86 -23.22 3.76 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.473 1.108 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -80.06 151.41 29.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 110.246 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 22.9 ttmt -93.28 21.64 5.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -98.65 -52.99 3.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 3.7 pt -55.16 -25.36 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.257 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.48 ' HB3' ' CG ' ' A' ' 89' ' ' TYR . 23.9 mt -73.12 109.7 6.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.485 ' CE1' ' HA2' ' A' ' 105' ' ' GLY . 1.8 m-30 -118.89 145.1 45.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.511 HD11 ' CD1' ' A' ' 89' ' ' TYR . 3.7 tp -130.4 116.78 17.57 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.16 . . . . 0.0 109.318 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 128.01 11.13 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.511 1.795 . . . . 0.0 111.001 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.407 ' CD2' ' O ' ' A' ' 128' ' ' LEU . 3.9 mm? -101.69 132.28 21.9 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.348 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 103.73 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.447 1.761 . . . . 0.0 111.0 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 4.7 p . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.332 179.972 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.418 ' HB2' ' O ' ' A' ' 39' ' ' LEU . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.906 0 N-CA-C 110.979 -0.431 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.426 ' HB2' ' O ' ' A' ' 130' ' ' LEU . 0.0 OUTLIER -140.77 172.31 12.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.588 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 0.7 OUTLIER -110.62 159.25 17.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 29.1 mt -108.06 104.23 13.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.489 ' CZ ' ' HA2' ' A' ' 15' ' ' GLY . 33.2 t80 -83.81 166.28 18.1 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.494 ' O ' ' C ' ' A' ' 12' ' ' SER . 53.3 t -141.18 78.36 1.64 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 108.311 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.494 ' C ' ' O ' ' A' ' 11' ' ' CYS . 0.8 OUTLIER -32.3 -40.66 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.02 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 11' ' ' CYS . 24.6 t30 -38.3 -64.82 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -109.09 -30.72 3.55 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.509 1.131 . . . . 0.0 111.023 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.489 ' HA2' ' CZ ' ' A' ' 10' ' ' TYR . . . 87.35 76.34 1.27 Allowed Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.578 ' CD2' ' HB2' ' A' ' 30' ' ' ARG . 49.8 m80 -151.04 158.03 43.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 0.774 . . . . 0.0 109.638 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.588 ' CD1' ' HB3' ' A' ' 8' ' ' LEU . 21.5 m-85 -96.86 141.4 30.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.47 ' CD2' HD21 ' A' ' 60' ' ' LEU . 9.5 tp -78.75 110.31 13.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.468 ' HB3' ' CG2' ' A' ' 37' ' ' ILE . 5.2 ptm180 -116.61 154.08 31.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.415 ' CD1' ' HB2' ' A' ' 60' ' ' LEU . 47.1 mt -125.24 111.01 26.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.455 HD23 ' CZ ' ' A' ' 19' ' ' ARG . 33.6 mt -72.12 157.92 88.51 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.246 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 0.71 8.61 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.489 1.784 . . . . 0.0 110.976 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.66 -17.57 19.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.69 46.37 1.52 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.47 ' CG2' ' OD2' ' A' ' 27' ' ' ASP . 1.1 m -126.53 147.89 49.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 0.76 . . . . 0.0 110.409 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.7 t -134.47 110.87 13.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.13 . . . . 0.0 109.253 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.47 ' OD2' ' CG2' ' A' ' 25' ' ' THR . 0.7 OUTLIER -149.02 162.59 39.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.085 . . . . 0.0 109.313 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -79.47 136.31 17.0 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.564 1.165 . . . . 0.0 110.95 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.496 ' O ' ' C ' ' A' ' 30' ' ' ARG . 12.8 t -123.73 -1.12 8.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 0.787 . . . . 0.0 110.384 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.578 ' HB2' ' CD2' ' A' ' 16' ' ' HIS . 0.2 OUTLIER 31.55 41.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.276 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 29' ' ' THR . 0.3 OUTLIER -130.88 128.43 40.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.486 ' HG2' ' CE2' ' A' ' 17' ' ' PHE . 2.3 mtm180 -88.76 -22.94 23.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.01 -57.17 14.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.965 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -43.92 148.51 0.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -102.7 -25.91 13.37 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.526 1.141 . . . . 0.0 110.327 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.57 ' CD2' ' HG2' ' A' ' 55' ' ' GLU . 70.5 m80 -59.66 -15.31 18.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.594 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.468 ' CG2' ' HB3' ' A' ' 19' ' ' ARG . 2.7 pt -80.28 -36.33 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.504 ' HA ' ' CD1' ' A' ' 8' ' ' LEU . 60.3 mt-30 -55.66 95.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.238 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.418 ' O ' ' HB2' ' A' ' 6' ' ' PRO . 41.1 mt -100.66 147.64 25.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.4 117.3 34.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 0.0 110.323 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.6 mp -99.99 136.27 40.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.6 m -141.37 160.86 39.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.98 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -115.82 124.04 49.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.467 ' HG2' ' OG ' ' A' ' 45' ' ' SER . 0.5 OUTLIER -105.78 -45.42 4.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 110.31 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.467 ' OG ' ' HG2' ' A' ' 44' ' ' GLU . 0.8 OUTLIER -128.83 166.75 18.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 110.026 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.6 p -61.15 121.68 9.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.257 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.48 14.66 79.38 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.538 1.149 . . . . 0.0 110.991 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -122.69 131.12 53.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 0.741 . . . . 0.0 110.313 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 15.3 m -129.64 153.31 38.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.499 ' CZ ' ' HB2' ' A' ' 79' ' ' LEU . 1.4 m-85 -120.99 131.44 54.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.157 . . . . 0.0 110.975 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.9 mt -110.7 128.45 67.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.26 152.57 44.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.0 128.55 37.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.057 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 20.7 p -90.41 8.53 33.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.132 . . . . 0.0 110.412 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.57 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 35.9 tp10 -103.36 -67.03 0.9 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.325 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 43.7 p -80.82 -41.98 22.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 110.381 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 102.52 39.15 2.84 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.132 . . . . 0.0 111.008 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -119.69 156.38 30.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.77 . . . . 0.0 110.299 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -98.84 139.29 34.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.974 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.47 HD21 ' CD2' ' A' ' 18' ' ' LEU . 4.0 tp -77.67 119.5 21.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -139.67 149.64 43.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 38.7 ttm -103.2 116.14 31.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.977 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -65.53 172.85 3.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.253 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.8 p -66.14 -35.97 81.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.385 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.436 ' CB ' HD23 ' A' ' 67' ' ' LEU . 6.4 m-20 -54.46 -31.65 56.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 111.57 6.18 25.38 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.517 1.136 . . . . 0.0 110.976 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.447 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 0.8 OUTLIER -96.5 161.23 14.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 0.756 . . . . 0.0 109.308 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.9 mt -99.11 139.0 35.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.572 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 1.8 p90 -150.13 154.89 38.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -85.65 125.51 7.32 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.524 1.14 . . . . 0.0 110.97 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.3 t -90.33 139.74 30.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 0.747 . . . . 0.0 110.006 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.13 -36.86 84.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.279 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.9 p -123.12 159.02 56.08 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.403 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 103.23 1.7 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.493 1.786 . . . . 0.0 111.035 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 18.2 m-20 -115.37 157.41 23.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 109.323 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -47.38 -35.56 8.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 110.292 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -57.32 -21.31 34.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 110.301 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 74.4 m -85.24 -16.89 38.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 108.305 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.499 ' HB2' ' CZ ' ' A' ' 50' ' ' TYR . 9.5 tp -87.45 128.09 35.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -128.07 166.05 19.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -102.65 127.5 49.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -108.85 147.26 32.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 110.297 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.76 155.46 29.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 110.338 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -92.4 120.75 33.21 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.469 ' HG3' ' CG2' ' A' ' 91' ' ' THR . 9.4 mm-40 -97.76 167.82 10.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.465 ' O ' ' O ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -46.51 177.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.31 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 36.8 m-20 62.89 -89.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 175.32 52.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.605 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.423 ' CG ' ' HB3' ' A' ' 126' ' ' LEU . 33.2 m-85 -128.35 164.92 21.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.103 . . . . 0.0 110.986 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -122.17 151.48 40.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.469 ' CG2' ' HG3' ' A' ' 85' ' ' GLU . 8.5 p -126.45 150.28 48.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.374 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -130.54 132.68 45.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 111.04 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.454 ' CD1' ' CE2' ' A' ' 103' ' ' PHE . 65.2 mt -130.7 143.48 40.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.404 ' O ' ' CA ' ' A' ' 98' ' ' ALA . 7.4 t -70.4 138.48 51.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.979 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 98' ' ' ALA . 0.4 OUTLIER -67.25 -77.16 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.449 ' HB3' ' CD2' ' A' ' 97' ' ' HIS . 3.2 mttt -40.27 -30.88 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.449 ' CD2' ' HB3' ' A' ' 96' ' ' LYS . 2.2 m-70 -120.82 51.86 1.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.641 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 95' ' ' LYS . . . -87.25 -47.93 8.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -58.78 -20.58 51.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.291 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.562 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 3.8 mtpt -75.87 -3.78 37.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 45.98 64.26 1.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.168 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.562 ' CD1' ' O ' ' A' ' 100' ' ' LYS . 50.7 m0 -112.13 130.98 55.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 107.986 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.454 ' CE2' ' CD1' ' A' ' 93' ' ' ILE . 95.5 m-85 -116.26 148.83 40.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 110.959 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.3 t -85.42 118.03 31.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -158.45 161.57 31.81 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.546 1.154 . . . . 0.0 110.968 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.401 ' CD2' ' HA ' ' A' ' 112' ' ' CYS . 6.9 mt -125.45 156.89 38.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 0.783 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -82.77 -172.06 3.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.9 ttmt -78.0 -20.69 52.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -86.8 4.28 41.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.291 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 73.91 34.63 55.65 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.523 1.139 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 96.3 p -111.6 146.43 37.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 0.783 . . . . 0.0 109.977 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . 0.401 ' HA ' ' CD2' ' A' ' 106' ' ' LEU . 17.2 p -65.89 135.5 54.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 108.297 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.0 ttmm -89.97 125.67 35.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.259 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.48 129.26 4.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.32 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . 0.514 ' N ' ' CD ' ' A' ' 116' ' ' PRO . . . -54.41 -50.36 56.89 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.496 1.123 . . . . 0.0 110.946 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.514 ' CD ' ' N ' ' A' ' 115' ' ' GLY . 18.3 Cg_endo -74.96 33.57 0.38 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.476 1.777 . . . . 0.0 110.979 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.499 ' H ' ' C ' ' A' ' 115' ' ' GLY . 3.4 mmt-85 -143.03 22.65 1.91 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.254 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 115' ' ' GLY . 2.6 p -114.27 160.7 18.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.363 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -175.63 179.58 1.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.577 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -79.49 144.33 34.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 108.96 -24.68 20.86 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -81.34 149.7 28.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 0.776 . . . . 0.0 110.257 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 3.1 ttmm -93.62 23.78 4.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -95.78 -56.47 2.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.138 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.435 HG23 ' CG ' ' A' ' 103' ' ' PHE . 12.1 pt -47.81 -41.54 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.423 ' HB3' ' CG ' ' A' ' 89' ' ' TYR . 31.3 mt -59.79 107.64 0.64 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -115.52 133.42 56.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.982 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.483 ' O ' ' CD2' ' A' ' 130' ' ' LEU . 5.4 tp -114.59 104.18 54.53 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . 0.413 ' HA ' ' O ' ' A' ' 8' ' ' LEU . 18.1 Cg_endo -75.02 119.27 5.57 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.503 1.791 . . . . 0.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.483 ' CD2' ' O ' ' A' ' 128' ' ' LEU . 3.7 mm? -97.4 127.18 38.96 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 128.01 11.1 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.449 1.762 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.494 ' HB ' ' CD2' ' A' ' 8' ' ' LEU . 3.1 p . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.914 0 N-CA-C 110.997 -0.424 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.415 ' N ' ' CD ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -140.48 177.35 8.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.276 -179.932 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.7 mt -123.38 138.4 54.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.519 HD12 ' CE2' ' A' ' 92' ' ' TYR . 23.4 mt -91.99 110.85 22.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.509 ' CE2' ' HA ' ' A' ' 12' ' ' SER . 54.3 t80 -88.3 151.87 22.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.409 ' O ' ' C ' ' A' ' 12' ' ' SER . 9.2 t -122.46 81.39 1.84 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 108.254 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.509 ' HA ' ' CE2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -38.07 -40.59 0.5 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.02 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.411 ' N ' ' HG2' ' A' ' 123' ' ' LYS . 48.0 t30 -67.68 70.34 0.12 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 12' ' ' SER . . . 121.25 -46.32 1.13 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.506 ' HA2' ' CE1' ' A' ' 10' ' ' TYR . . . 92.0 87.36 1.49 Allowed Glycine 0 CA--C 1.531 1.042 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.556 ' CD2' ' HG2' ' A' ' 30' ' ' ARG . 61.5 m80 -154.79 160.72 41.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 0.785 . . . . 0.0 109.651 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -113.22 141.58 46.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 111.021 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.467 ' CD1' HD23 ' A' ' 106' ' ' LEU . 11.5 tp -79.01 122.41 26.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.474 ' CZ ' ' HB ' ' A' ' 29' ' ' THR . 1.0 OUTLIER -125.25 151.31 46.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 71.4 mt -124.5 111.74 29.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 29.2 mt -82.07 157.65 68.3 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.472 ' CB ' HG23 ' A' ' 56' ' ' THR . 18.1 Cg_endo -75.06 0.57 8.77 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.464 1.771 . . . . 0.0 110.981 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.91 3.27 49.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.76 47.99 7.46 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.565 1.166 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.8 m -125.61 141.16 52.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 0.751 . . . . 0.0 110.37 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.463 HG12 ' CD1' ' A' ' 60' ' ' LEU . 4.1 t -135.06 113.28 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -148.66 162.11 40.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.107 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -84.7 142.25 20.01 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.47 1.107 . . . . 0.0 111.059 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.474 ' HB ' ' CZ ' ' A' ' 19' ' ' ARG . 9.0 t -146.19 132.99 20.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 0.754 . . . . 0.0 110.399 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.556 ' HG2' ' CD2' ' A' ' 16' ' ' HIS . 9.3 ptt180 -103.59 56.11 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.321 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -142.51 88.28 2.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 33' ' ' SER . 0.1 OUTLIER -39.97 -36.38 0.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.266 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 32' ' ' ARG . 0.1 OUTLIER -38.32 -51.16 1.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.971 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -44.38 141.34 1.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -107.97 -16.35 14.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.331 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.4 ' CD2' ' HG2' ' A' ' 55' ' ' GLU . 9.0 m80 -76.0 -7.42 54.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.597 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.405 ' CG2' ' HB3' ' A' ' 19' ' ' ARG . 14.6 pt -83.37 -16.74 11.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -67.16 83.63 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.255 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 44.9 mt -93.98 144.18 25.69 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.587 1.18 . . . . 0.0 109.345 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.431 ' HB2' ' CG2' ' A' ' 54' ' ' THR . 0.0 OUTLIER -106.87 114.9 29.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.302 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.52 133.69 39.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.4 m -133.73 161.31 35.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.004 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -118.79 130.22 55.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.619 ' OE2' ' CD2' ' A' ' 50' ' ' TYR . 62.5 mt-10 -117.54 -51.06 2.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 110.307 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.39 165.69 20.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.979 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 40.7 t -54.44 125.08 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.412 ' O ' ' HA ' ' A' ' 81' ' ' LEU . . . 65.58 13.85 59.31 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.423 ' HB3' HD13 ' A' ' 79' ' ' LEU . 4.7 mt-10 -114.18 120.9 42.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 0.746 . . . . 0.0 110.312 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.403 ' O ' HD11 ' A' ' 79' ' ' LEU . 13.9 m -130.69 148.57 33.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.627 ' CD2' HD12 ' A' ' 79' ' ' LEU . 1.6 m-85 -114.92 131.48 56.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.6 mt -111.88 118.56 57.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.31 152.7 51.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.6 137.21 32.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.023 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.431 ' CG2' ' HB2' ' A' ' 40' ' ' GLN . 44.0 p -100.23 11.02 40.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.372 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.4 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 11.2 tp10 -109.16 -72.47 0.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.472 HG23 ' CB ' ' A' ' 22' ' ' PRO . 27.0 p -70.26 -63.08 1.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.403 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 126.49 41.21 0.33 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.49 1.118 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -127.04 161.0 29.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 0.789 . . . . 0.0 110.301 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 5.5 m-30 -104.48 146.54 28.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.463 ' CD1' HG12 ' A' ' 26' ' ' VAL . 5.8 tp -81.53 114.67 20.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.443 1.089 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -137.22 154.84 50.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.414 ' HE1' ' CD2' ' A' ' 68' ' ' LEU . 20.7 tpp -106.12 136.74 45.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 0.0 110.982 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.521 ' OD2' ' CD2' ' A' ' 69' ' ' TYR . 0.5 OUTLIER -92.94 -169.69 2.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 76.7 p -77.46 -27.16 51.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.415 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.445 ' CB ' HD21 ' A' ' 67' ' ' LEU . 11.3 m-20 -69.57 -8.2 45.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 82.91 6.63 88.21 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.502 1.126 . . . . 0.0 111.025 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.445 HD21 ' CB ' ' A' ' 65' ' ' ASP . 0.5 OUTLIER -97.27 161.65 13.71 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 0.761 . . . . 0.0 109.34 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.414 ' CD2' ' HE1' ' A' ' 62' ' ' MET . 8.3 mt -97.62 145.1 26.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.521 ' CD2' ' OD2' ' A' ' 63' ' ' ASP . 4.7 p90 -148.63 167.6 25.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.991 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -87.9 124.95 7.37 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.54 1.15 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.4 p -86.04 135.54 33.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 0.0 110.012 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.39 -26.82 46.64 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.58 1.175 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.4 p -135.41 159.41 71.79 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 110.378 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 108.19 2.66 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.502 1.79 . . . . 0.0 111.029 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -127.19 154.32 44.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -45.05 -29.87 0.96 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 110.304 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -57.41 -34.29 68.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.269 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 58.4 m -73.34 -20.13 60.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 108.279 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.627 HD12 ' CD2' ' A' ' 50' ' ' TYR . 2.3 tp -87.15 120.8 28.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -117.27 164.87 14.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.412 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 0.3 OUTLIER -103.79 126.03 50.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -108.75 149.95 28.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 110.329 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.04 164.47 34.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 110.298 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.22 105.84 17.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.601 ' OE2' ' CE1' ' A' ' 120' ' ' TYR . 3.9 mm-40 -98.07 161.38 13.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -59.4 -178.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 31.7 m-20 62.64 13.91 6.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.335 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 56.36 57.82 4.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.584 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.565 ' CD2' ' HB3' ' A' ' 126' ' ' LEU . 3.7 m-85 -137.91 156.42 47.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -112.46 156.02 23.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.453 ' CG2' ' HG3' ' A' ' 85' ' ' GLU . 76.4 p -129.3 170.58 13.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.395 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.519 ' CE2' HD12 ' A' ' 9' ' ' LEU . 45.0 m-85 -149.41 133.21 16.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.573 HD11 ' CE2' ' A' ' 103' ' ' PHE . 55.5 mt -131.31 147.86 32.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.8 t -71.55 138.51 48.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.047 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.417 ' C ' ' N ' ' A' ' 97' ' ' HIS . 2.3 tttt -73.39 -58.3 3.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -42.21 -28.44 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.263 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.613 ' CE1' ' CZ3' ' A' ' 102' ' ' TRP . 27.5 m-70 -102.42 -89.0 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.113 . . . . 0.0 109.596 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 67.53 -68.84 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 97' ' ' HIS . 2.2 mt-10 -54.79 -24.58 23.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.565 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 10.9 mttt -77.41 -11.41 59.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 49.13 64.18 1.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.33 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.613 ' CZ3' ' CE1' ' A' ' 97' ' ' HIS . 49.3 m0 -112.64 132.74 55.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 107.993 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.573 ' CE2' HD11 ' A' ' 93' ' ' ILE . 65.0 m-85 -113.84 148.89 35.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.497 ' O ' ' C ' ' A' ' 105' ' ' GLY . 36.2 t -69.93 -24.98 27.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.534 ' HA2' ' CE1' ' A' ' 127' ' ' PHE . . . -30.02 142.55 0.02 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.517 1.135 . . . . 0.0 110.969 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.467 HD23 ' CD1' ' A' ' 18' ' ' LEU . 0.7 OUTLIER -106.77 159.27 16.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 0.76 . . . . 0.0 109.334 179.935 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 111' ' ' SER . 4.6 mtpt -68.38 -171.98 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.65 -9.19 23.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.261 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -90.72 21.68 3.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 63.02 41.28 99.91 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.447 1.092 . . . . 0.0 111.003 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 107' ' ' LYS . 0.7 OUTLIER -138.07 160.86 38.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.774 . . . . 0.0 110.021 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 28.0 p -75.64 135.26 40.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 108.245 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 114' ' ' ARG . 6.6 tttt -90.48 112.93 24.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 113' ' ' LYS . 1.8 mpp_? -37.0 138.8 0.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.32 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . 0.496 ' C ' ' H ' ' A' ' 117' ' ' ARG . . . -50.96 -55.93 16.34 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.515 1.134 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.419 ' CD ' ' N ' ' A' ' 115' ' ' GLY . 18.3 Cg_endo -74.96 32.16 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.498 1.789 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.496 ' H ' ' C ' ' A' ' 115' ' ' GLY . 5.7 mmt180 -142.42 22.39 2.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.341 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.422 ' CG2' ' HD3' ' A' ' 113' ' ' LYS . 6.0 p -118.72 167.2 11.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.368 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -151.66 169.47 22.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.624 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.601 ' CE1' ' OE2' ' A' ' 85' ' ' GLU . 0.2 OUTLIER -89.84 128.47 36.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 111.041 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 100.26 26.69 8.13 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.485 1.115 . . . . 0.0 110.999 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -112.6 135.74 52.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.765 . . . . 0.0 110.257 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.45 ' CD ' ' HB2' ' A' ' 12' ' ' SER . 0.1 OUTLIER -55.29 -19.59 8.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.01 -63.47 1.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.117 . . . . 0.0 109.271 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.525 HG21 ' CG ' ' A' ' 103' ' ' PHE . 1.3 pt -57.55 -37.46 58.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.565 ' HB3' ' CD2' ' A' ' 89' ' ' TYR . 54.2 mt -59.93 102.71 0.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.534 ' CE1' ' HA2' ' A' ' 105' ' ' GLY . 2.4 m-30 -115.22 152.47 32.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 111.024 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.509 ' O ' ' CD2' ' A' ' 130' ' ' LEU . 5.4 tp -128.97 121.17 20.66 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 116.87 4.72 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.483 1.78 . . . . 0.0 111.058 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.509 ' CD2' ' O ' ' A' ' 128' ' ' LEU . 3.5 mm? -96.79 141.33 22.92 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 126.57 10.09 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.451 1.764 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.943 0 N-CA-C 111.036 -0.409 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.76 155.97 43.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.567 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 0.4 OUTLIER -103.38 140.25 37.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.338 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.516 HD13 ' CD2' ' A' ' 127' ' ' PHE . 0.2 OUTLIER -91.55 104.46 16.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -83.59 120.01 25.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.992 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 15' ' ' GLY . 0.5 OUTLIER -106.14 78.76 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 108.305 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.457 ' HB3' ' CG ' ' A' ' 123' ' ' LYS . 4.2 t -38.46 -38.03 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.001 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.427 ' N ' ' HG2' ' A' ' 123' ' ' LYS . 53.3 t30 -40.24 -33.04 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.31 -45.47 0.06 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.55 1.156 . . . . 0.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.449 ' C ' ' ND1' ' A' ' 16' ' ' HIS . . . 103.62 63.38 0.69 Allowed Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.449 ' ND1' ' C ' ' A' ' 15' ' ' GLY . 2.4 m80 -143.77 156.02 44.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 0.754 . . . . 0.0 109.58 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.567 ' CD1' ' HB3' ' A' ' 8' ' ' LEU . 20.8 m-85 -103.85 143.47 32.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 110.962 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.2 tp -77.31 125.43 29.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.43 ' HB3' ' CG2' ' A' ' 37' ' ' ILE . 2.2 ptm180 -129.17 155.28 45.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.305 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 54.6 mt -124.47 113.94 38.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.478 HD12 ' CG2' ' A' ' 25' ' ' THR . 27.0 mt -72.43 156.89 89.92 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.403 ' CA ' HG21 ' A' ' 56' ' ' THR . 18.4 Cg_endo -74.93 -5.06 16.32 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.49 1.784 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.5 -15.71 26.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.12 44.07 1.95 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.533 1.146 . . . . 0.0 110.961 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.478 ' CG2' HD12 ' A' ' 21' ' ' LEU . 3.8 m -124.76 147.9 48.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.407 0.71 . . . . 0.0 110.39 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.3 t -129.27 118.79 47.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -147.98 161.35 41.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -84.48 147.37 23.15 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.46 1.1 . . . . 0.0 110.974 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.47 ' CG2' ' CG2' ' A' ' 37' ' ' ILE . 2.9 t -151.66 141.66 22.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 0.739 . . . . 0.0 110.452 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.439 ' HG2' ' CD2' ' A' ' 16' ' ' HIS . 0.6 OUTLIER -127.97 33.92 4.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 33' ' ' SER . 9.3 t0 -93.03 -14.41 27.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.464 ' O ' ' C ' ' A' ' 33' ' ' SER . 8.1 mtm180 65.9 -60.99 0.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.517 ' N ' ' O ' ' A' ' 31' ' ' ASP . 0.1 OUTLIER -34.52 -38.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.002 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 32' ' ' ARG . 0.2 OUTLIER -44.78 143.84 1.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -106.9 -29.71 9.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.28 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -63.88 -23.16 67.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.578 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.47 ' CG2' ' CG2' ' A' ' 29' ' ' THR . 39.7 pt -66.93 -29.53 46.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -67.51 82.98 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.32 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 39.7 mt -96.6 146.95 24.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.35 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.463 ' HG2' ' CG2' ' A' ' 54' ' ' THR . 0.0 OUTLIER -105.21 114.61 28.91 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.472 1.108 . . . . 0.0 110.257 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.21 136.43 33.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.6 m -135.3 161.34 35.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.967 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -117.29 126.92 53.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.454 ' HG2' ' OG ' ' A' ' 45' ' ' SER . 0.3 OUTLIER -107.97 -45.18 4.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.291 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.454 ' OG ' ' HG2' ' A' ' 44' ' ' GLU . 0.9 OUTLIER -128.67 168.16 16.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.01 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.1 t -60.8 123.38 13.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.35 9.14 72.39 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.486 1.116 . . . . 0.0 111.018 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -114.41 134.77 54.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 0.778 . . . . 0.0 110.275 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.7 m -137.18 148.62 26.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -117.09 131.61 56.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 12.5 mt -108.35 120.99 60.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.482 ' HB2' ' CD1' ' A' ' 59' ' ' TYR . 10.2 tttt -136.58 146.5 46.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.0 t -83.39 132.33 34.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.009 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.463 ' CG2' ' HG2' ' A' ' 40' ' ' GLN . 48.1 p -83.57 -17.76 40.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.382 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -81.78 -76.33 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.417 ' OG1' ' N ' ' A' ' 57' ' ' GLY . 37.5 p -67.22 -63.86 0.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.373 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.417 ' N ' ' OG1' ' A' ' 56' ' ' THR . . . 133.05 -20.98 4.2 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.36 -175.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 0.75 . . . . 0.0 110.329 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.482 ' CD1' ' HB2' ' A' ' 52' ' ' LYS . 97.6 m-85 -131.48 173.12 11.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.994 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.6 tp -105.43 113.57 27.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.512 ' HB2' ' CZ ' ' A' ' 69' ' ' TYR . . . -137.79 147.67 44.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.593 ' O ' ' CE1' ' A' ' 97' ' ' HIS . 46.3 ttm -106.0 116.7 32.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 110.959 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.31 -165.52 0.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 72.0 p -78.96 -21.75 46.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.373 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.81 -14.84 63.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.64 -15.1 61.17 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.504 1.127 . . . . 0.0 110.99 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.2 mp -85.11 163.7 18.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 0.0 109.261 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.465 ' CD1' HG11 ' A' ' 104' ' ' VAL . 13.5 mt -98.07 145.6 26.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.348 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.512 ' CZ ' ' HB2' ' A' ' 61' ' ' ALA . 5.4 p90 -140.35 161.14 38.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -80.29 112.28 3.43 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.559 1.162 . . . . 0.0 111.03 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.45 116.86 28.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 0.769 . . . . 0.0 110.013 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.09 -57.87 8.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 110.336 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.3 p -106.13 157.56 34.55 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.434 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 120.74 6.2 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.502 1.79 . . . . 0.0 111.029 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 78' ' ' CYS . 54.2 p30 -127.27 159.26 34.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 109.341 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -49.29 -23.83 1.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.298 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -71.68 -20.87 61.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.321 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.451 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 49.8 m -83.61 -14.84 51.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 108.32 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.2 tp -83.28 127.66 33.83 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.559 1.162 . . . . 0.0 109.324 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -128.93 164.87 22.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.153 . . . . 0.0 111.018 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.473 ' CD2' ' N ' ' A' ' 81' ' ' LEU . 0.1 OUTLIER -103.62 125.74 50.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.492 ' HG3' ' CE1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -107.55 146.26 32.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.72 161.28 42.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 110.323 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -92.41 134.44 34.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.491 ' OE2' ' CG2' ' A' ' 91' ' ' THR . 8.5 mt-10 -127.06 165.46 19.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -60.8 179.91 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.087 . . . . 0.0 110.301 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.554 ' HB3' ' CD2' ' A' ' 89' ' ' TYR . 30.5 m-20 61.2 16.03 6.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 55.76 54.05 8.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.555 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.554 ' CD2' ' HB3' ' A' ' 87' ' ' ASN . 8.7 m-85 -130.79 170.07 14.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.983 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -120.36 170.03 9.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.491 ' CG2' ' OE2' ' A' ' 85' ' ' GLU . 1.1 p -144.11 141.52 30.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 110.391 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.492 ' CE1' ' HG3' ' A' ' 82' ' ' GLU . 91.0 m-85 -132.27 132.44 43.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.581 HD12 ' CE1' ' A' ' 103' ' ' PHE . 17.4 mt -130.36 143.82 39.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 98' ' ' ALA . 0.1 OUTLIER -70.13 137.78 51.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 110.027 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.76 -67.79 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.594 ' HB3' ' CD2' ' A' ' 97' ' ' HIS . 19.4 tttt -52.29 -25.18 8.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.594 ' CD2' ' HB3' ' A' ' 96' ' ' LYS . 0.1 OUTLIER -122.0 44.96 2.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.575 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 94' ' ' SER . . . -91.49 -47.22 7.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.345 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -57.46 -26.21 60.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.303 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.512 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 0.0 OUTLIER -78.46 -2.3 37.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.358 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 48.19 65.56 1.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.524 ' CD1' ' HA ' ' A' ' 116' ' ' PRO . 49.2 m0 -111.37 131.77 54.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 107.98 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.581 ' CE1' HD12 ' A' ' 93' ' ' ILE . 97.2 m-85 -110.77 148.84 31.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.465 HG11 ' CD1' ' A' ' 68' ' ' LEU . 69.1 t -65.01 -92.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.346 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.431 ' N ' HG13 ' A' ' 104' ' ' VAL . . . 52.89 169.79 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.488 1.117 . . . . 0.0 111.018 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.446 ' CD2' ' HA ' ' A' ' 112' ' ' CYS . 71.1 mt -138.08 159.67 41.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 0.761 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.01 -177.11 6.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.45 -14.91 51.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -86.87 -3.91 59.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.334 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 82.75 42.77 8.1 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.492 1.12 . . . . 0.0 111.04 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -136.96 151.74 49.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 0.766 . . . . 0.0 109.993 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . 0.446 ' HA ' ' CD2' ' A' ' 106' ' ' LEU . 7.4 m -66.3 135.94 55.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 108.291 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 114' ' ' ARG . 0.0 OUTLIER -89.55 130.78 35.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.283 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.449 ' C ' ' O ' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -34.74 128.9 0.45 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 110.333 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . 0.59 ' N ' ' CD ' ' A' ' 116' ' ' PRO . . . -59.36 -45.85 94.8 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.562 1.164 . . . . 0.0 110.987 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' A' ' 115' ' ' GLY . 18.2 Cg_endo -75.01 7.14 3.0 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.552 1.817 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 8.2 mmt180 -125.6 47.07 2.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.296 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.412 HG21 ' CE ' ' A' ' 113' ' ' LYS . 4.1 p -125.32 168.56 13.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.349 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.423 ' HB2' ' NE2' ' A' ' 122' ' ' GLN . 52.9 m80 -144.74 160.31 41.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.553 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -90.4 133.06 35.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 97.93 11.11 50.88 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.531 1.144 . . . . 0.0 110.973 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.423 ' NE2' ' HB2' ' A' ' 119' ' ' HIS . 15.8 mt-30 -91.68 150.17 21.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 0.768 . . . . 0.0 110.275 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.457 ' CG ' ' HB3' ' A' ' 12' ' ' SER . 1.3 ttpt -74.03 -8.8 57.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.424 1.078 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.408 ' HB2' ' ND2' ' A' ' 13' ' ' ASN . . . -77.51 -62.7 1.58 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.505 HG21 ' CG ' ' A' ' 103' ' ' PHE . 6.5 pt -53.62 -39.49 38.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 92.8 mt -63.12 130.87 46.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 109.333 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.516 ' CD2' HD13 ' A' ' 9' ' ' LEU . 0.5 OUTLIER -132.38 155.44 48.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.986 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.513 ' O ' ' CD2' ' A' ' 130' ' ' LEU . 0.4 OUTLIER -131.85 114.06 15.22 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . 0.413 ' HD2' ' CD2' ' A' ' 128' ' ' LEU . 18.2 Cg_endo -75.03 115.69 4.36 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.528 1.804 . . . . 0.0 111.001 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.513 ' CD2' ' O ' ' A' ' 128' ' ' LEU . 3.4 mm? -92.93 141.47 24.23 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 109.287 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 109.74 2.99 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.497 1.788 . . . . 0.0 110.959 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.482 ' HB ' ' CD2' ' A' ' 8' ' ' LEU . 5.1 p . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.877 0 N-CA-C 110.984 -0.429 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.33 158.86 43.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.8 mt -108.07 141.53 39.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -91.93 113.35 25.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.582 1.176 . . . . 0.0 109.314 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.47 ' CE1' ' HA2' ' A' ' 15' ' ' GLY . 86.7 t80 -98.83 115.82 29.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 111.016 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 13' ' ' ASN . 12.7 t -88.92 88.52 7.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 108.28 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 11' ' ' CYS . 37.5 p -37.67 -31.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.984 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 11' ' ' CYS . 9.2 t-20 -43.95 -55.44 4.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.468 ' CA ' ' HG3' ' A' ' 108' ' ' LYS . . . -120.15 -33.51 1.04 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.504 1.128 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.47 ' HA2' ' CE1' ' A' ' 10' ' ' TYR . . . 93.89 57.23 1.33 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -123.77 164.87 18.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 0.752 . . . . 0.0 109.576 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -107.77 142.21 38.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 111.012 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.443 ' CD1' HD13 ' A' ' 106' ' ' LEU . 10.9 tp -78.46 112.25 15.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.436 ' HB3' ' CG2' ' A' ' 37' ' ' ILE . 5.3 ptm180 -115.84 149.74 38.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.312 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.8 mt -125.15 117.53 50.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.466 HD12 ' CG2' ' A' ' 25' ' ' THR . 20.1 mt -83.34 156.06 66.17 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.424 ' CB ' HG22 ' A' ' 56' ' ' THR . 18.1 Cg_endo -75.04 -2.34 12.42 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.501 1.79 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -95.61 2.79 54.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.36 45.12 8.25 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.523 1.14 . . . . 0.0 110.964 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.466 ' CG2' HD12 ' A' ' 21' ' ' LEU . 3.1 m -124.68 147.73 48.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 0.775 . . . . 0.0 110.353 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.1 t -132.35 119.75 40.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -145.79 161.08 40.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.72 136.68 13.0 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.504 1.128 . . . . 0.0 110.977 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.4 t -139.42 139.91 37.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 0.745 . . . . 0.0 110.425 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.6 ttt-85 -110.81 47.81 0.96 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.284 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -136.47 99.38 4.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.337 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.8 mtm180 -52.05 -28.54 17.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.31 -48.8 3.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.009 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.79 145.32 41.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' A' ' 38' ' ' GLN . 6.0 mm100 -106.14 -40.19 5.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.264 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.514 ' CD2' ' HG2' ' A' ' 55' ' ' GLU . 41.9 m80 -46.22 -28.8 1.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.604 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.436 ' CG2' ' HB3' ' A' ' 19' ' ' ARG . 13.9 pt -57.73 -40.6 76.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 35' ' ' GLN . 27.5 mt-30 -46.26 101.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.412 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 17.4 mt -106.72 147.45 29.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.456 ' HB2' ' CG2' ' A' ' 54' ' ' THR . 0.0 OUTLIER -105.14 115.12 29.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 110.313 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.8 mp -100.53 136.28 40.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.142 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 36.5 t -141.34 162.94 34.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 110.01 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -118.95 125.96 50.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.404 ' HG2' ' OG ' ' A' ' 45' ' ' SER . 0.4 OUTLIER -110.47 -40.81 4.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 110.3 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.404 ' OG ' ' HG2' ' A' ' 44' ' ' GLU . 0.8 OUTLIER -127.59 166.46 17.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.985 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 74.7 t -64.1 118.91 7.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.69 7.3 87.28 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.121 . . . . 0.0 110.997 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -115.28 135.36 54.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 0.777 . . . . 0.0 110.311 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 20.7 m -133.19 153.08 36.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -118.77 132.2 56.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 16.8 mt -113.27 122.09 66.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 26.6 ttpt -138.8 145.89 40.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.412 ' HA ' ' CD2' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -78.7 136.22 37.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.578 1.174 . . . . 0.0 110.025 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.456 ' CG2' ' HB2' ' A' ' 40' ' ' GLN . 61.6 p -91.46 -7.98 49.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 110.388 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.514 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.8 OUTLIER -94.59 -77.47 0.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.289 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.424 HG22 ' CB ' ' A' ' 22' ' ' PRO . 35.1 p -62.75 -61.8 2.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.407 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 118.46 43.05 0.56 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -120.22 162.9 18.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 0.756 . . . . 0.0 110.321 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -108.31 139.07 43.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.8 tp -77.37 115.92 17.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -135.89 154.82 51.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 29.6 tpp -103.55 136.33 43.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 111.048 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.431 ' OD1' ' N ' ' A' ' 67' ' ' LEU . 0.9 OUTLIER -92.58 173.23 7.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 109.331 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 69.9 p -65.04 -22.22 66.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.359 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.461 ' HB3' ' CD1' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -74.68 -3.82 33.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.81 5.61 89.39 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.471 1.107 . . . . 0.0 111.03 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' A' ' 65' ' ' ASP . 4.0 mp -91.71 168.06 11.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 0.788 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 34.5 mt -108.01 138.61 43.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.554 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 2.9 p90 -148.31 161.02 42.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.989 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -91.01 125.67 8.09 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.434 1.084 . . . . 0.0 111.018 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.6 t -91.76 139.67 30.45 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.46 0.741 . . . . 0.0 109.987 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.7 -37.27 85.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.256 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.9 p -124.55 160.36 53.67 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 110.421 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 105.13 2.02 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.504 1.791 . . . . 0.0 111.024 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -115.16 157.16 24.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.351 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.57 -32.1 5.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.276 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -59.31 -26.37 64.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.324 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 51.9 m -80.2 -16.39 54.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 108.298 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.4 tp -85.32 120.86 27.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.227 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -118.45 165.23 14.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 111.036 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.8 mt -103.66 120.58 41.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -109.31 145.95 35.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.081 . . . . 0.0 110.335 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.09 156.36 32.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 110.317 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.8 tt -92.68 120.12 32.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.488 ' OE1' ' CD2' ' A' ' 126' ' ' LEU . 0.0 OUTLIER -106.15 156.05 18.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.516 ' O ' ' CB ' ' A' ' 87' ' ' ASN . 32.8 mt-10 -65.66 97.44 0.32 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.457 1.098 . . . . 0.0 110.265 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.516 ' CB ' ' O ' ' A' ' 86' ' ' GLU . 0.7 OUTLIER 153.98 41.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.337 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.516 ' C ' ' O ' ' A' ' 87' ' ' ASN . 15.2 t-80 30.6 46.92 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.57 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.444 ' CD2' ' O ' ' A' ' 87' ' ' ASN . 3.7 m-85 -145.25 163.44 34.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 111.036 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -123.4 159.25 29.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.2 p -130.41 158.19 40.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.379 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -136.92 133.86 36.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 111.034 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.578 HD13 ' CE1' ' A' ' 103' ' ' PHE . 62.0 mt -135.79 152.38 30.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.03 139.02 46.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.987 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 23.4 tttt -70.23 -58.23 4.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.494 ' HB3' ' CD2' ' A' ' 97' ' ' HIS . 4.2 mttt -56.44 -25.48 50.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.531 ' CD2' ' N ' ' A' ' 97' ' ' HIS . 0.3 OUTLIER -123.74 50.93 1.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.605 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -83.63 -38.25 21.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.336 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -74.62 -17.06 60.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.511 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 33.5 mttt -78.52 -6.98 56.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.148 . . . . 0.0 109.261 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 48.56 64.05 1.84 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.511 ' CD1' ' O ' ' A' ' 100' ' ' LYS . 47.1 m0 -112.42 131.8 55.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 108.006 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.578 ' CE1' HD13 ' A' ' 93' ' ' ILE . 98.2 m-85 -114.49 148.75 37.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.959 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.442 ' O ' ' O ' ' A' ' 105' ' ' GLY . 88.9 t -66.83 -79.21 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' A' ' 104' ' ' VAL . . . 53.22 166.17 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.121 . . . . 0.0 111.0 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.443 HD13 ' CD1' ' A' ' 18' ' ' LEU . 42.8 mt -139.29 135.06 33.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 0.772 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.566 ' N ' ' O ' ' A' ' 111' ' ' SER . 0.0 OUTLIER -67.63 149.26 50.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.573 1.171 . . . . 0.0 109.303 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.468 ' HG3' ' CA ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER -65.53 -9.76 29.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -84.97 -3.07 58.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 85.82 39.09 8.28 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.448 1.093 . . . . 0.0 110.969 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.566 ' O ' ' N ' ' A' ' 107' ' ' LYS . 74.4 m -136.04 168.03 20.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 0.763 . . . . 0.0 110.038 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 23.0 p -83.03 135.69 34.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 108.256 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.6 124.61 34.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.41 152.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.325 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . 0.475 ' C ' ' H ' ' A' ' 117' ' ' ARG . . . -72.36 -55.7 6.71 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.504 1.128 . . . . 0.0 110.971 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.423 ' HB3' ' NE1' ' A' ' 102' ' ' TRP . 18.1 Cg_endo -75.03 36.48 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.521 1.801 . . . . 0.0 111.03 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.475 ' H ' ' C ' ' A' ' 115' ' ' GLY . 2.6 mmt-85 -142.6 18.04 2.01 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.485 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . 1.7 p -118.54 166.9 12.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 110.392 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -169.53 166.63 10.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.575 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -73.09 133.64 44.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 110.946 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 118.71 -25.79 7.88 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -76.34 149.24 37.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 110.317 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 18.7 tttt -93.01 26.5 2.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -100.86 -47.68 4.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 8.2 pt -58.7 -36.88 62.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.28 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.488 ' CD2' ' OE1' ' A' ' 85' ' ' GLU . 50.3 mt -55.11 127.49 29.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -138.32 146.27 42.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 111.05 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 6.1 tp -133.02 114.88 14.0 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 109.49 2.94 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.49 1.784 . . . . 0.0 111.023 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.406 ' HA ' ' HD3' ' A' ' 131' ' ' PRO . 2.9 mm? -91.38 132.8 32.75 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 130' ' ' LEU . 18.3 Cg_endo -75.03 104.42 1.9 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.499 1.789 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 8.1 p . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.99 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.0 tpp . . . . . 0 N--CA 1.454 -0.248 0 CA-C-O 120.502 0.191 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -145.36 123.93 12.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -134.3 97.64 3.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 49.07 72.5 0.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.9 mtpp -155.99 87.01 3.06 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 164.47 33.32 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.437 1.756 . . . . 0.0 111.043 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.406 ' N ' ' HD2' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -140.22 170.27 16.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.03 149.32 41.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 24.9 mt -91.66 104.29 16.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.475 ' HB2' ' CD2' ' A' ' 130' ' ' LEU . 62.1 t80 -86.75 148.13 25.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 111.042 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.468 ' O ' ' C ' ' A' ' 12' ' ' SER . 44.2 t -128.3 78.31 1.83 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 108.301 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.468 ' C ' ' O ' ' A' ' 11' ' ' CYS . 2.5 p -34.44 -37.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.018 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 11' ' ' CYS . 13.2 t30 -40.2 -52.0 2.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.356 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -121.89 -37.02 0.68 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.474 1.109 . . . . 0.0 110.971 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.453 ' C ' ' ND1' ' A' ' 16' ' ' HIS . . . 93.67 77.77 1.38 Allowed Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.453 ' ND1' ' C ' ' A' ' 15' ' ' GLY . 47.9 m80 -154.15 160.86 42.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 0.789 . . . . 0.0 109.63 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -101.81 139.79 36.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 111.015 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.6 tp -79.49 120.5 23.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.35 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.464 ' HB3' ' CG2' ' A' ' 37' ' ' ILE . 5.2 ptm180 -118.28 154.64 31.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 110.293 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.592 ' O ' ' CE1' ' A' ' 36' ' ' HIS . 4.5 mt -124.73 127.32 72.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.474 HD11 ' CG2' ' A' ' 25' ' ' THR . 18.6 mt -94.84 157.41 36.83 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.253 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.408 ' HB3' ' CG2' ' A' ' 56' ' ' THR . 18.4 Cg_endo -74.99 0.28 9.1 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.509 1.794 . . . . 0.0 111.013 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -98.49 5.19 48.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.5 45.61 10.88 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.481 1.113 . . . . 0.0 111.021 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.474 ' CG2' HD11 ' A' ' 21' ' ' LEU . 2.3 m -125.7 147.66 49.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 0.787 . . . . 0.0 110.376 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.2 t -133.94 120.88 37.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.339 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -146.8 162.27 38.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -90.77 159.44 26.84 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.426 ' N ' ' HB3' ' A' ' 16' ' ' HIS . 2.5 t -170.92 137.16 1.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 0.782 . . . . 0.0 110.424 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.0 42.04 1.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.35 94.66 4.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -49.81 -31.96 12.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.122 . . . . 0.0 110.242 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.0 t -52.02 -39.6 59.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.029 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -43.5 119.92 1.78 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -93.82 73.78 4.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 110.281 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.817 ' HE2' HG21 ' A' ' 56' ' ' THR . 1.1 t-80 -178.79 -40.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.57 1.169 . . . . 0.0 109.568 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.464 ' CG2' ' HB3' ' A' ' 19' ' ' ARG . 28.3 pt -46.23 -25.86 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.417 ' N ' ' C ' ' A' ' 36' ' ' HIS . 51.9 mt-30 -64.36 100.5 0.36 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 55.0 mt -111.77 147.41 35.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.471 ' HB2' ' CG2' ' A' ' 54' ' ' THR . 0.5 OUTLIER -105.33 114.61 28.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 110.304 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.3 mp -92.77 135.64 33.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.249 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.1 m -138.21 155.64 48.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.566 1.166 . . . . 0.0 109.993 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -109.4 125.54 52.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.451 ' HG2' ' OG ' ' A' ' 45' ' ' SER . 0.4 OUTLIER -107.24 -44.68 4.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.312 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.451 ' OG ' ' HG2' ' A' ' 44' ' ' GLU . 0.7 OUTLIER -128.34 167.23 17.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.976 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.7 p -60.02 122.29 9.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.81 21.37 76.57 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.497 ' OE2' ' CD1' ' A' ' 81' ' ' LEU . 7.8 mt-10 -125.06 137.08 54.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 0.766 . . . . 0.0 110.289 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 32.6 m -135.21 151.26 30.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.257 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.515 ' CZ ' ' HB2' ' A' ' 79' ' ' LEU . 0.6 OUTLIER -116.51 132.47 56.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 11.1 mt -117.71 116.86 53.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.547 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -141.38 152.96 44.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.422 ' OG ' ' CE1' ' A' ' 36' ' ' HIS . 0.1 OUTLIER -84.34 136.89 33.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 110.012 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.471 ' CG2' ' HB2' ' A' ' 40' ' ' GLN . 20.9 p -100.91 11.24 39.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.423 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -103.28 -54.83 2.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.306 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.817 HG21 ' HE2' ' A' ' 36' ' ' HIS . 12.7 p -92.57 -51.45 5.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.384 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 117.48 35.57 1.07 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.451 1.094 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -112.13 156.15 22.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 0.755 . . . . 0.0 110.315 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.547 ' CD1' ' HG2' ' A' ' 52' ' ' LYS . 2.6 m-30 -107.02 139.87 40.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 111.031 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.0 tp -77.48 113.21 15.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.085 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -136.34 152.1 50.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 42.7 ttm -107.92 115.98 31.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 111.059 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.94 -163.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 69.2 p -84.36 -18.15 37.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.442 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -75.66 -9.23 58.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.435 ' HA3' ' CD ' ' A' ' 116' ' ' PRO . . . 87.93 -14.38 58.88 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.423 ' CD1' ' HG3' ' A' ' 114' ' ' ARG . 2.4 mp -77.76 158.69 29.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 0.779 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.7 mt -95.91 144.68 26.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.565 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 1.9 p90 -154.38 160.91 41.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -87.37 121.75 5.95 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.5 t -86.74 139.47 30.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 0.74 . . . . 0.0 110.057 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -69.83 -33.88 72.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.312 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.6 p -123.96 159.49 56.16 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.433 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 112.02 3.46 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.48 1.779 . . . . 0.0 110.984 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -126.79 152.92 46.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -47.64 -25.82 1.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.613 ' CD ' ' HE2' ' A' ' 97' ' ' HIS . 23.5 mt-10 -63.13 -30.15 71.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.309 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 58.2 m -76.32 -23.04 54.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 108.315 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.515 ' HB2' ' CZ ' ' A' ' 50' ' ' TYR . 23.1 tp -87.78 131.42 34.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 0.0 109.257 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -126.37 164.64 20.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 111.02 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.497 ' CD1' ' OE2' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -104.04 126.39 51.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.253 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.09 140.87 42.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.331 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.58 166.59 24.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 0.0 110.324 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -98.49 108.89 21.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -99.75 161.0 13.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 110.3 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 87' ' ' ASN . 2.9 mt-10 -62.75 169.44 3.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.278 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 86' ' ' GLU . 2.1 t30 81.5 -2.94 1.65 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 72.96 54.86 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.576 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.53 ' CG ' ' HB3' ' A' ' 126' ' ' LEU . 3.9 m-85 -143.56 151.6 40.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 111.028 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -105.31 153.89 21.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.415 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 4.0 p -125.37 169.05 12.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.436 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.415 ' CD1' ' O ' ' A' ' 91' ' ' THR . 37.3 m-85 -146.35 133.11 20.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 111.027 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.563 HD12 ' CE2' ' A' ' 103' ' ' PHE . 57.1 mt -131.29 138.77 52.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.0 t -68.5 138.33 55.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.999 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.42 ' C ' ' N ' ' A' ' 97' ' ' HIS . 0.0 OUTLIER -64.86 -74.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.497 ' HB3' ' CD2' ' A' ' 97' ' ' HIS . 0.8 OUTLIER -42.8 -28.48 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.613 ' HE2' ' CD ' ' A' ' 77' ' ' GLU . 0.3 OUTLIER -124.37 58.84 1.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 109.605 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.409 ' HA ' ' CG2' ' A' ' 93' ' ' ILE . . . -92.26 -45.01 8.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -66.7 -14.91 63.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.28 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.583 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 11.5 mttt -79.21 -5.55 54.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 49.52 63.94 1.96 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.583 ' CD1' ' O ' ' A' ' 100' ' ' LYS . 49.9 m0 -113.06 132.06 55.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 108.013 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.563 ' CE2' HD12 ' A' ' 93' ' ' ILE . 81.7 m-85 -118.16 148.74 42.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.518 ' O ' ' CZ ' ' A' ' 127' ' ' PHE . 43.1 t -88.31 94.69 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.269 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.425 ' HA2' ' CE1' ' A' ' 127' ' ' PHE . . . -132.29 169.39 22.24 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.453 1.096 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.475 ' CD2' ' HA ' ' A' ' 112' ' ' CYS . 1.2 mt -132.73 159.82 38.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 0.772 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 10.0 mttm -84.73 -171.9 3.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.259 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.69 -16.85 43.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.122 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -88.09 6.19 37.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.458 1.099 . . . . 0.0 109.245 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 73.72 38.22 50.62 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.506 1.129 . . . . 0.0 110.967 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.9 m -116.14 147.43 41.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 0.77 . . . . 0.0 110.0 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . 0.475 ' HA ' ' CD2' ' A' ' 106' ' ' LEU . 25.6 p -66.76 135.16 53.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 108.302 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 114' ' ' ARG . 12.5 tttp -90.3 115.52 27.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.437 ' CB ' ' HG3' ' A' ' 117' ' ' ARG . 2.7 mpp_? -36.97 141.24 0.13 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 0.0 110.266 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.456 ' C ' ' H ' ' A' ' 117' ' ' ARG . . . -57.97 -57.54 19.3 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.495 1.122 . . . . 0.0 110.961 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.435 ' CD ' ' HA3' ' A' ' 66' ' ' GLY . 18.3 Cg_endo -74.97 39.99 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.534 1.807 . . . . 0.0 111.042 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.456 ' H ' ' C ' ' A' ' 115' ' ' GLY . 2.5 mmt-85 -144.02 18.0 1.77 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 110.33 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.8 p -114.65 157.7 22.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.406 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.488 ' N ' ' NE2' ' A' ' 122' ' ' GLN . 0.1 OUTLIER -163.48 175.43 10.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.595 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -79.73 136.61 36.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 108.03 -8.45 36.15 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.501 1.126 . . . . 0.0 110.999 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.488 ' NE2' ' N ' ' A' ' 119' ' ' HIS . 60.3 mt-30 -90.43 150.92 21.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 0.75 . . . . 0.0 110.349 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.2 tppm? -92.59 11.28 27.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.415 ' HB3' ' ND2' ' A' ' 13' ' ' ASN . . . -91.09 -42.13 10.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 2.4 pt -67.0 -40.89 86.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.53 ' HB3' ' CG ' ' A' ' 89' ' ' TYR . 43.7 mt -61.01 109.86 1.19 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.518 ' CZ ' ' O ' ' A' ' 104' ' ' VAL . 1.3 m-30 -120.27 144.5 47.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 0.0 111.049 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 8.8 tp -125.53 111.85 25.6 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 106.97 2.38 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.511 1.796 . . . . 0.0 110.983 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.475 ' CD2' ' HB2' ' A' ' 10' ' ' TYR . 2.3 mm? -89.1 145.51 34.5 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 134.9 18.27 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.484 1.781 . . . . 0.0 111.016 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 1.4 p -135.27 156.15 38.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 4.2 t 62.66 117.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.969 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 4.2 t -114.91 135.76 53.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.961 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . 0.404 ' O ' ' O ' ' A' ' 136' ' ' LEU . 0.5 OUTLIER -129.79 109.57 11.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.334 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.404 ' O ' ' O ' ' A' ' 135' ' ' ASP . 2.0 mm? -55.48 -168.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 42.63 83.39 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -117.44 113.15 21.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.618 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 51.8 m80 -117.92 171.79 7.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.597 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -128.73 173.48 10.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.593 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -86.72 135.79 33.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.604 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -101.21 142.65 32.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.583 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 5.0 m80 . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 0.0 109.566 -179.997 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.2 ttp . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.487 0.184 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -151.23 86.6 1.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.437 ' CD1' ' C ' ' A' ' 3' ' ' TYR . 3.0 p90 -42.05 135.81 2.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 111.049 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -173.64 106.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.94 85.53 0.5 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.419 ' CB ' ' O ' ' A' ' 39' ' ' LEU . 18.5 Cg_endo -74.93 159.74 41.23 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.515 1.797 . . . . 0.0 111.01 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -145.18 164.23 31.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.573 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 0.4 OUTLIER -103.44 140.65 37.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 109.263 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.455 ' HB3' ' CD2' ' A' ' 127' ' ' PHE . 2.1 mm? -92.5 104.29 16.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.255 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.466 ' HB2' ' CD2' ' A' ' 130' ' ' LEU . 34.0 t80 -78.82 148.79 32.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.981 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 13' ' ' ASN . 42.2 t -134.32 76.25 1.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 108.306 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -36.97 -32.93 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.015 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 11' ' ' CYS . 7.5 t30 -44.34 -50.18 9.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -123.61 -36.84 0.62 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 11' ' ' CYS . . . 94.38 72.98 1.19 Allowed Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.458 ' CD2' ' HB2' ' A' ' 30' ' ' ARG . 47.9 m80 -154.4 164.75 38.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.458 0.74 . . . . 0.0 109.612 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.573 ' CD1' ' HB3' ' A' ' 8' ' ' LEU . 20.4 m-85 -107.73 143.21 36.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.435 HD21 ' CD1' ' A' ' 60' ' ' LEU . 14.3 tp -77.16 122.5 25.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.456 ' HB3' ' CG2' ' A' ' 37' ' ' ILE . 2.1 ptm180 -123.81 154.12 40.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.279 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 60.0 mt -124.48 114.79 42.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.46 HD12 ' CG2' ' A' ' 25' ' ' THR . 23.4 mt -75.3 156.84 85.38 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -2.79 13.0 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.496 1.787 . . . . 0.0 111.012 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -94.03 -15.08 25.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.74 40.32 2.74 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.46 ' CG2' HD12 ' A' ' 21' ' ' LEU . 5.9 m -120.6 147.78 44.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 0.75 . . . . 0.0 110.399 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.3 t -131.55 116.76 32.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -148.23 161.98 40.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.13 157.92 35.72 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.8 t -157.68 132.33 8.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 0.735 . . . . 0.0 110.382 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.458 ' HB2' ' CD2' ' A' ' 16' ' ' HIS . 18.2 ttt180 -105.65 48.54 0.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -140.05 98.42 3.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.16 -38.06 49.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 110.254 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.29 -35.92 0.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.995 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -57.37 135.65 56.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.574 1.171 . . . . 0.0 109.337 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -106.63 -5.22 18.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.331 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 27.8 m80 -89.29 -0.2 57.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.092 . . . . 0.0 109.584 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.456 ' CG2' ' HB3' ' A' ' 19' ' ' ARG . 14.7 pt -92.74 -22.39 5.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -60.91 89.78 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 110.312 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.468 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 80.6 mt -98.82 146.14 26.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.357 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.466 ' HG2' ' CG2' ' A' ' 54' ' ' THR . 0.3 OUTLIER -105.55 114.79 29.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.315 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.2 mp -93.48 136.39 33.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.7 m -137.8 160.12 40.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.999 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -119.92 124.56 46.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.413 ' HG2' ' OG ' ' A' ' 45' ' ' SER . 0.3 OUTLIER -100.64 -47.61 4.79 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 110.308 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.413 ' OG ' ' HG2' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -128.27 166.84 17.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.986 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.0 p -67.4 104.83 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.91 4.73 48.16 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.488 1.117 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -119.47 143.29 47.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 0.743 . . . . 0.0 110.267 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.7 m -139.56 150.77 22.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -118.99 132.32 56.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 11.2 mt -115.62 118.23 58.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.473 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -135.33 153.17 51.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.346 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.468 ' HA ' ' CD2' ' A' ' 39' ' ' LEU . 33.5 m -84.27 133.02 34.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.466 ' CG2' ' HG2' ' A' ' 40' ' ' GLN . 69.8 p -84.94 -27.53 26.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.406 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -76.65 -79.25 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.329 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 76.4 p -63.14 -53.32 55.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.393 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 120.41 -19.43 9.21 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.16 162.51 0.68 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 0.784 . . . . 0.0 110.266 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.473 ' CD1' ' HG2' ' A' ' 52' ' ' LYS . 10.1 m-30 -113.84 141.19 47.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.435 ' CD1' HD21 ' A' ' 18' ' ' LEU . 6.6 tp -76.91 113.02 14.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -140.09 148.21 41.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 42.5 ttm -106.81 117.16 33.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.955 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -69.93 -159.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 10.1 p -86.24 -28.24 23.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.412 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.502 ' CB ' ' CD1' ' A' ' 67' ' ' LEU . 48.1 m-20 -62.53 -12.56 23.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.42 ' HA3' ' CD ' ' A' ' 116' ' ' PRO . . . 86.38 8.07 78.43 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.48 1.113 . . . . 0.0 110.975 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.502 ' CD1' ' CB ' ' A' ' 65' ' ' ASP . 4.3 mp -96.94 171.49 8.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 0.74 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 36.4 mt -110.18 137.83 47.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.243 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.53 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 4.0 p90 -147.57 166.32 27.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 111.003 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -92.29 122.11 6.72 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.447 1.092 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.0 t -88.02 139.83 30.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 0.744 . . . . 0.0 110.039 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -71.57 -33.72 69.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.339 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.6 p -125.23 160.53 54.53 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 110.373 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 112.57 3.59 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.452 1.764 . . . . 0.0 110.95 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.405 ' O ' ' N ' ' A' ' 78' ' ' CYS . 5.0 m-20 -126.33 154.66 43.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -45.99 -26.66 0.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -61.61 -33.67 74.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.405 ' N ' ' O ' ' A' ' 75' ' ' ASN . 57.0 m -72.88 -16.67 61.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 108.291 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 8.8 tp -88.24 130.06 35.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.373 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -129.55 164.92 22.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.67 127.15 51.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -109.25 145.76 35.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.269 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -150.9 166.33 30.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.307 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -94.75 116.21 28.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.503 ' OE1' ' CD2' ' A' ' 126' ' ' LEU . 3.7 mt-10 -104.99 161.54 14.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 110.271 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -59.96 -179.83 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 38.2 m-20 60.05 16.84 6.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 56.13 66.16 1.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.612 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.458 ' CG ' ' HB3' ' A' ' 126' ' ' LEU . 13.4 m-85 -143.42 168.23 20.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.952 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -119.73 155.97 31.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.481 ' CG2' ' HG3' ' A' ' 85' ' ' GLU . 1.0 OUTLIER -125.9 162.21 25.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.403 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -145.72 132.72 20.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.164 . . . . 0.0 111.002 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.493 ' CD1' ' CE2' ' A' ' 103' ' ' PHE . 24.8 mt -136.28 138.25 47.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.6 t -58.4 138.28 56.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.983 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.406 ' C ' ' N ' ' A' ' 97' ' ' HIS . 2.2 tttt -78.05 -50.86 11.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.06 -25.31 0.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.547 ' CE1' ' CZ3' ' A' ' 102' ' ' TRP . 30.5 m-70 -105.38 -90.88 0.4 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.596 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 69.06 -63.24 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 97' ' ' HIS . 6.9 mt-10 -58.42 -17.02 17.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.138 . . . . 0.0 110.315 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.588 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 14.6 mttt -88.97 -7.77 55.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 45.8 64.4 1.47 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.588 ' CD1' ' O ' ' A' ' 100' ' ' LYS . 52.0 m0 -112.14 131.05 55.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 107.973 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.493 ' CE2' ' CD1' ' A' ' 93' ' ' ILE . 84.6 m-85 -112.65 146.89 37.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 73.6 t -61.29 -90.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.561 ' HA2' ' CE1' ' A' ' 127' ' ' PHE . . . 54.57 168.17 0.04 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.447 1.092 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.469 ' CD2' ' HA ' ' A' ' 112' ' ' CYS . 13.0 mt -137.6 129.36 28.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 0.765 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 111' ' ' SER . 2.6 mtmp? -52.11 -176.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -88.09 -8.1 55.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -89.34 8.97 27.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 74.51 20.1 79.67 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 107' ' ' LYS . 63.0 m -114.07 166.91 11.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.443 0.731 . . . . 0.0 110.006 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . 0.469 ' HA ' ' CD2' ' A' ' 106' ' ' LEU . 13.6 p -74.17 136.43 42.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 108.342 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 114' ' ' ARG . 0.6 OUTLIER -89.27 123.97 33.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.123 . . . . 0.0 109.306 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.442 ' CB ' ' HG3' ' A' ' 117' ' ' ARG . 0.9 OUTLIER -37.37 146.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.312 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.465 ' C ' ' H ' ' A' ' 117' ' ' ARG . . . -66.56 -55.91 15.65 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.488 1.118 . . . . 0.0 110.976 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.42 ' CD ' ' HA3' ' A' ' 66' ' ' GLY . 18.3 Cg_endo -75.03 39.02 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.508 1.794 . . . . 0.0 110.991 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.465 ' H ' ' C ' ' A' ' 115' ' ' GLY . 7.2 mmt180 -142.93 17.64 1.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.28 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.437 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . 1.3 p -114.73 164.44 14.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.419 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -171.67 166.62 6.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.589 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -73.58 127.54 33.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 122.93 -19.78 7.76 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.439 1.087 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -79.83 148.61 31.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 0.754 . . . . 0.0 110.263 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 4.7 ttmm -90.38 18.65 5.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.418 ' HB2' ' ND2' ' A' ' 13' ' ' ASN . . . -94.96 -51.06 4.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.4 pt -55.09 -28.42 20.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.503 ' CD2' ' OE1' ' A' ' 85' ' ' GLU . 21.4 mt -64.98 105.38 1.02 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 109.347 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.561 ' CE1' ' HA2' ' A' ' 105' ' ' GLY . 0.6 OUTLIER -121.09 135.77 55.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.583 1.177 . . . . 0.0 110.983 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -119.84 113.78 34.34 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 112.51 3.58 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.537 1.809 . . . . 0.0 110.989 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.466 ' CD2' ' HB2' ' A' ' 10' ' ' TYR . 3.8 mm? -92.72 140.79 23.85 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 130' ' ' LEU . 18.1 Cg_endo -75.01 140.11 25.03 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.498 1.789 . . . . 0.0 110.942 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.474 ' HB ' ' CD2' ' A' ' 8' ' ' LEU . 5.2 p -143.58 149.84 17.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.564 1.165 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 10.4 t 62.17 138.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.994 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 9.4 m -59.25 165.18 2.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.107 . . . . 0.0 109.99 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -74.19 -42.21 60.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.413 ' O ' ' CB ' ' A' ' 137' ' ' GLU . 0.0 OUTLIER 46.92 -170.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.413 ' CB ' ' O ' ' A' ' 136' ' ' LEU . 0.0 OUTLIER 79.53 131.13 0.05 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -114.72 102.0 9.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.627 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.54 154.85 2.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.602 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -143.61 -53.3 0.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.614 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 71.32 -68.04 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.59 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 67.63 176.5 0.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.623 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 15.9 p-80 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.61 -179.982 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.0 mtt . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.498 0.19 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 57.49 169.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -146.29 37.4 1.03 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -123.56 -76.03 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 64.48 158.35 0.12 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 109.339 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 161.46 38.72 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.476 1.777 . . . . 0.0 111.016 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.452 ' N ' ' CD ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -142.49 172.35 12.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.09 146.12 41.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -91.76 104.97 17.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.411 ' HB3' ' CB ' ' A' ' 128' ' ' LEU . 44.8 t80 -84.79 113.75 21.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 111.046 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.456 ' O ' ' N ' ' A' ' 15' ' ' GLY . 41.3 t -88.65 76.12 8.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 108.3 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 11' ' ' CYS . 15.3 p -35.6 -35.03 0.05 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.557 1.16 . . . . 0.0 109.977 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 11' ' ' CYS . 13.3 t-20 -42.48 -52.82 4.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -120.69 -36.18 0.8 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.47 1.106 . . . . 0.0 111.046 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 11' ' ' CYS . . . 97.33 74.03 1.17 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.422 ' ND1' ' C ' ' A' ' 15' ' ' GLY . 42.7 m80 -151.11 161.7 42.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 0.763 . . . . 0.0 109.6 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -105.51 142.69 34.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.419 HD22 ' CD1' ' A' ' 60' ' ' LEU . 8.6 tp -77.99 126.07 30.28 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.421 ' HB3' ' CG2' ' A' ' 37' ' ' ILE . 3.1 ptm180 -126.59 153.1 45.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 74.2 mt -124.75 118.7 54.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.466 HD13 ' CG2' ' A' ' 25' ' ' THR . 22.8 mt -80.79 157.01 72.35 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.576 1.172 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 -4.18 15.01 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.496 1.787 . . . . 0.0 110.97 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -91.17 -18.2 24.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 104.26 40.89 2.16 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.536 1.147 . . . . 0.0 111.037 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.466 ' CG2' HD13 ' A' ' 21' ' ' LEU . 5.2 m -119.93 147.24 44.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 0.749 . . . . 0.0 110.434 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.7 t -132.2 118.01 34.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.335 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -148.09 162.64 38.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.348 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -90.48 148.1 19.42 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 110.973 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 t -154.25 137.14 15.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 110.398 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.5 ttt-85 -109.44 53.94 0.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.268 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -136.66 86.39 2.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.153 . . . . 0.0 109.26 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.16 -32.85 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.8 t -41.52 -51.45 3.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 109.992 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.01 149.45 1.89 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -115.26 -13.01 11.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.281 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.566 ' CE1' ' HG2' ' A' ' 55' ' ' GLU . 34.3 m80 -76.77 -13.65 60.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.613 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.421 ' CG2' ' HB3' ' A' ' 19' ' ' ARG . 39.4 pt -76.64 -29.84 18.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -55.98 89.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 37' ' ' ILE . 32.0 mt -97.29 144.5 27.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.47 ' HB2' ' CG2' ' A' ' 54' ' ' THR . 0.0 OUTLIER -105.79 114.27 28.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.127 . . . . 0.0 110.313 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.454 ' N ' HD12 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -93.28 135.26 34.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.289 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.31 160.96 36.75 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 0.0 109.994 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -123.19 129.3 51.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.535 ' HG3' ' CD2' ' A' ' 50' ' ' TYR . 1.6 mt-10 -113.39 -52.01 2.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 110.3 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.76 163.24 21.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 109.989 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.6 p -61.89 115.65 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.36 18.65 61.99 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.554 1.158 . . . . 0.0 111.032 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -128.68 130.73 47.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 0.772 . . . . 0.0 110.301 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 25.0 m -136.05 150.06 27.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.278 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.535 ' CD2' ' HG3' ' A' ' 44' ' ' GLU . 1.0 OUTLIER -118.77 134.05 55.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 111.04 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.465 HD13 ' CD2' ' A' ' 60' ' ' LEU . 3.6 mt -114.5 107.38 22.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.429 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 6.7 mttt -119.13 152.2 36.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.12 130.06 35.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.027 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.47 ' CG2' ' HB2' ' A' ' 40' ' ' GLN . 82.8 p -90.99 11.81 21.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.408 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.566 ' HG2' ' CE1' ' A' ' 36' ' ' HIS . 43.7 tp10 -104.7 -61.17 1.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.343 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.439 ' OG1' ' N ' ' A' ' 57' ' ' GLY . 32.0 p -91.74 -64.36 1.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 110.392 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.439 ' N ' ' OG1' ' A' ' 56' ' ' THR . . . 125.74 42.23 0.32 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.447 1.092 . . . . 0.0 111.015 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -116.46 136.29 53.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 0.782 . . . . 0.0 110.242 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.429 ' CD1' ' HG2' ' A' ' 52' ' ' LYS . 58.1 m-85 -77.0 136.36 38.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.465 ' CD2' HD13 ' A' ' 51' ' ' ILE . 2.8 tp -77.76 112.87 15.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.259 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -137.92 154.25 49.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.425 ' HG3' ' N ' ' A' ' 63' ' ' ASP . 6.2 tpp -103.47 145.89 29.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.979 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.425 ' N ' ' HG3' ' A' ' 62' ' ' MET . 0.5 OUTLIER -97.42 163.1 13.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 61.8 p -50.64 -33.11 21.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.369 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.417 ' HB3' ' CD2' ' A' ' 67' ' ' LEU . 6.7 m-20 -60.89 -19.0 59.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.421 ' HA3' ' CD ' ' A' ' 116' ' ' PRO . . . 93.37 13.87 54.9 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.477 1.111 . . . . 0.0 110.964 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.417 ' CD2' ' HB3' ' A' ' 65' ' ' ASP . 0.6 OUTLIER -105.0 161.54 14.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 0.773 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.442 ' CD1' HG11 ' A' ' 104' ' ' VAL . 7.6 mt -97.44 142.44 29.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.512 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 4.0 p90 -147.81 155.4 41.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 111.031 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -76.81 111.5 3.29 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.87 127.17 34.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 0.782 . . . . 0.0 109.986 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -61.01 -54.49 44.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.2 p -104.56 156.46 35.85 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 110.414 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 116.48 4.59 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.471 1.774 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -125.63 156.37 39.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -48.31 -25.71 1.69 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.48 1.113 . . . . 0.0 110.301 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.531 ' HG2' ' HE2' ' A' ' 97' ' ' HIS . 36.7 mt-10 -64.76 -27.6 69.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.455 1.097 . . . . 0.0 110.321 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.405 ' SG ' ' CB ' ' A' ' 59' ' ' TYR . 48.0 m -77.46 -16.98 58.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 108.291 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.455 HD13 ' CE1' ' A' ' 50' ' ' TYR . 3.2 tp -87.93 117.2 26.62 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -116.45 165.17 13.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.963 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.5 mt -103.46 129.99 50.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.42 ' OE2' ' N ' ' A' ' 83' ' ' ARG . 2.7 tm-20 -108.62 150.12 27.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.42 ' N ' ' OE2' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -157.86 152.76 25.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.092 . . . . 0.0 110.342 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -95.76 128.88 43.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -98.33 159.11 15.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.316 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -72.42 88.16 1.19 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 173.68 -89.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 177.05 38.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.588 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.538 ' CE1' HD13 ' A' ' 128' ' ' LEU . 74.2 m-85 -139.52 171.96 13.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 111.017 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -125.97 156.69 39.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.462 ' CG2' HG13 ' A' ' 125' ' ' ILE . 1.2 p -126.92 144.26 51.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.374 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -126.6 132.56 51.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.52 ' CD1' ' CE2' ' A' ' 103' ' ' PHE . 43.5 mt -135.52 145.2 32.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 98' ' ' ALA . 1.6 t -71.59 138.81 49.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 110.01 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 18.4 tptm -73.98 -50.16 21.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.577 ' HB3' ' CD2' ' A' ' 97' ' ' HIS . 2.8 tttt -58.76 -17.13 20.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.247 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.577 ' CD2' ' HB3' ' A' ' 96' ' ' LYS . 0.1 OUTLIER -129.66 23.44 5.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.608 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 94' ' ' SER . . . -54.66 -52.67 61.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.31 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -60.89 -24.73 66.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 110.319 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.475 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 2.3 mtpt -73.5 -12.48 60.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 49.87 65.03 1.54 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.475 ' CD1' ' O ' ' A' ' 100' ' ' LYS . 48.0 m0 -111.61 131.16 55.46 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.52 ' CE2' ' CD1' ' A' ' 93' ' ' ILE . 89.3 m-85 -113.14 149.2 33.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.996 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.442 HG11 ' CD1' ' A' ' 68' ' ' LEU . 74.4 t -70.64 -89.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 104' ' ' VAL . . . 51.1 173.59 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.409 ' CD2' ' HA ' ' A' ' 112' ' ' CYS . 19.4 mt -138.16 131.45 30.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 0.748 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 111' ' ' SER . 5.7 mtpt -55.61 -167.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -90.18 -13.06 36.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -86.78 7.16 28.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 72.62 29.05 66.22 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.481 1.113 . . . . 0.0 111.054 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.466 ' O ' ' N ' ' A' ' 107' ' ' LYS . 0.4 OUTLIER -121.69 160.86 23.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 0.762 . . . . 0.0 109.981 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . 0.409 ' HA ' ' CD2' ' A' ' 106' ' ' LEU . 18.8 p -66.87 136.02 54.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 108.32 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 114' ' ' ARG . 4.0 tttp -89.5 125.62 35.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -37.75 139.68 0.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.339 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.483 ' C ' ' H ' ' A' ' 117' ' ' ARG . . . -64.25 -55.85 21.29 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.421 ' CD ' ' HA3' ' A' ' 66' ' ' GLY . 18.2 Cg_endo -75.01 32.75 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.539 1.81 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.483 ' H ' ' C ' ' A' ' 115' ' ' GLY . 6.2 mmt180 -141.84 21.94 2.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.333 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.425 ' OG1' ' O ' ' A' ' 115' ' ' GLY . 1.5 p -119.82 159.27 24.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.449 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -164.62 166.8 19.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 109.596 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -71.46 132.59 44.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.972 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 120.99 -23.4 7.76 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.521 1.138 . . . . 0.0 110.967 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -76.12 149.09 37.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 0.755 . . . . 0.0 110.28 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.3 ttmm -91.86 26.46 2.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.25 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.407 ' HB1' ' ND2' ' A' ' 13' ' ' ASN . . . -102.02 -59.03 1.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.519 HG22 ' CG ' ' A' ' 103' ' ' PHE . 4.6 pt -46.4 -37.52 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 29.9 mt -62.01 114.06 3.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -119.99 140.38 51.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.538 HD13 ' CE1' ' A' ' 89' ' ' TYR . 0.4 OUTLIER -113.37 108.01 52.88 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.99 107.07 2.4 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.462 1.77 . . . . 0.0 111.037 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 64.4 mt -98.79 146.58 31.88 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.523 1.14 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 146.14 32.33 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.525 1.803 . . . . 0.0 110.963 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -147.38 164.96 6.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 12.4 t 62.65 149.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.148 . . . . 0.0 110.028 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 21.1 p -134.89 143.77 47.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.986 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 136' ' ' LEU . 0.4 OUTLIER 54.38 101.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 135' ' ' ASP . 0.0 OUTLIER -41.55 161.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 109.258 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 173.24 -60.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.102 . . . . 0.0 110.313 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 59.27 172.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.616 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -95.14 130.25 41.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.466 1.104 . . . . 0.0 109.59 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 63.76 165.9 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.597 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -147.26 176.61 9.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.578 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 54.2 t60 -126.91 153.27 45.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.569 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.585 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.533 0.206 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 26.3 m-20 -154.52 97.11 1.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -135.83 162.3 33.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 110.952 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.2 mttt 60.34 -166.87 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.341 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.417 ' N ' ' HD3' ' A' ' 6' ' ' PRO . 19.4 tttt -138.59 64.46 37.1 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.417 ' HD3' ' N ' ' A' ' 5' ' ' LYS . 18.3 Cg_endo -75.02 158.67 41.98 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.522 1.801 . . . . 0.0 110.951 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.34 167.8 21.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.157 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.422 ' CD1' ' HB ' ' A' ' 132' ' ' VAL . 2.0 mt -122.74 141.0 52.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -92.68 104.48 16.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -82.21 139.07 34.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.457 ' O ' ' N ' ' A' ' 15' ' ' GLY . 51.4 t -119.12 77.62 1.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 108.305 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 13' ' ' ASN . 41.1 t -37.9 -36.7 0.21 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.978 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 12' ' ' SER . 10.8 t30 -38.37 -65.67 0.33 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.147 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.554 ' O ' ' CE1' ' A' ' 16' ' ' HIS . . . -127.0 25.19 5.29 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.521 1.138 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 11' ' ' CYS . . . 42.46 71.13 0.41 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.059 -0.817 . . . . 0.0 111.059 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.554 ' CE1' ' O ' ' A' ' 14' ' ' GLY . 56.8 m80 -134.76 163.67 29.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 0.778 . . . . 0.0 109.563 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -117.21 140.89 48.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.546 1.154 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.1 tp -79.26 112.56 16.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.465 ' HB3' ' CG2' ' A' ' 37' ' ' ILE . 2.6 ptm180 -116.4 150.28 38.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 110.288 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.437 ' CD1' ' HB2' ' A' ' 60' ' ' LEU . 59.8 mt -124.12 109.83 23.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.445 HD22 ' CZ ' ' A' ' 19' ' ' ARG . 24.3 mt -76.7 157.34 82.17 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 0.18 9.21 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.488 1.783 . . . . 0.0 111.023 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -100.77 10.5 41.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.88 46.83 27.85 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.556 1.16 . . . . 0.0 111.016 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.5 m -126.68 143.86 51.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 0.732 . . . . 0.0 110.428 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.3 t -135.35 119.5 26.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.273 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -148.17 162.58 39.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -84.03 135.05 13.29 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.418 1.074 . . . . 0.0 110.993 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 t -136.98 136.56 38.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 0.745 . . . . 0.0 110.438 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -110.64 55.82 0.64 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.289 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -146.33 85.15 1.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 33' ' ' SER . 1.4 mpp_? -39.83 -37.99 0.62 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.348 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 32' ' ' ARG . 0.2 OUTLIER -39.15 -41.85 0.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.0 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -44.99 120.81 2.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -94.23 28.39 2.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.303 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 45.0 m80 -122.28 -41.95 2.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.647 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.465 ' CG2' ' HB3' ' A' ' 19' ' ' ARG . 44.3 pt -48.19 -26.89 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -52.99 89.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.333 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 37' ' ' ILE . 61.0 mt -101.72 143.34 31.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.472 ' HG2' ' CG2' ' A' ' 54' ' ' THR . 1.1 pt20 -105.31 114.8 29.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.36 136.23 33.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.9 m -139.87 160.46 39.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.986 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -122.27 125.02 45.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -110.11 -42.0 4.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.237 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.52 163.62 23.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.044 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 11.9 p -62.59 125.86 19.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.155 . . . . 0.0 109.254 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.51 4.56 65.46 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.478 1.111 . . . . 0.0 111.031 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -115.56 140.49 49.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.78 . . . . 0.0 110.303 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 25.5 m -137.01 161.33 35.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.428 1.08 . . . . 0.0 109.345 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.515 ' CE2' HD21 ' A' ' 79' ' ' LEU . 3.6 m-85 -127.67 137.21 52.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 5.7 mt -122.95 123.44 68.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.251 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.564 ' HD3' ' CE1' ' A' ' 59' ' ' TYR . 25.7 ttpt -140.98 150.91 43.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.19 129.35 34.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 110.04 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.472 ' CG2' ' HG2' ' A' ' 40' ' ' GLN . 40.1 p -83.6 -1.57 54.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.138 . . . . 0.0 110.42 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -99.15 -58.93 1.82 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.292 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 39.9 p -82.46 -52.12 7.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 110.424 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 105.24 46.06 1.28 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.491 1.119 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -127.8 136.62 51.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 0.799 . . . . 0.0 110.313 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.564 ' CE1' ' HD3' ' A' ' 52' ' ' LYS . 21.3 m-85 -80.61 141.13 35.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.437 ' HB2' ' CD1' ' A' ' 20' ' ' ILE . 4.2 tp -77.19 115.87 17.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -132.45 153.56 50.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 14.4 tpp -106.44 135.98 47.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 110.993 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.517 ' CG ' ' CE2' ' A' ' 69' ' ' TYR . 1.0 OUTLIER -90.51 -171.83 3.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 0.0 109.274 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.9 p -80.59 -28.32 37.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.37 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.452 ' CB ' HD23 ' A' ' 67' ' ' LEU . 5.2 m-20 -67.44 -9.65 43.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.54 -2.24 84.58 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.539 1.15 . . . . 0.0 111.002 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.452 HD23 ' CB ' ' A' ' 65' ' ' ASP . 0.6 OUTLIER -85.94 155.72 20.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 0.0 109.315 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 14.9 mt -96.3 140.43 30.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.555 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 2.8 p90 -148.37 150.84 34.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -88.68 127.64 8.72 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.509 1.131 . . . . 0.0 110.946 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.7 t -93.7 139.61 30.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 0.741 . . . . 0.0 110.017 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -63.63 -37.32 86.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.305 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.3 p -119.83 158.92 48.62 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.355 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 112.28 3.52 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.458 1.767 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -125.64 157.16 37.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.252 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -49.45 -32.71 12.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -61.1 -17.29 51.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.283 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 7.3 m -95.26 -18.86 20.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 108.312 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.515 HD21 ' CE2' ' A' ' 50' ' ' TYR . 2.5 tp -83.02 119.55 24.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -117.01 165.35 13.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.9 mt -103.37 125.1 49.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -109.21 149.13 29.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.24 147.31 20.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.8 tt -92.3 108.05 19.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 109.343 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -105.53 165.37 11.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.312 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -52.99 176.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.275 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 73.88 4.55 4.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 54.45 62.42 2.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.611 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.573 ' CD2' ' HB3' ' A' ' 126' ' ' LEU . 0.8 OUTLIER -144.69 158.77 43.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 111.031 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -111.79 148.08 34.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 22.5 p -131.07 159.68 36.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.423 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -141.52 134.06 28.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 111.058 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.545 HD12 ' CE2' ' A' ' 103' ' ' PHE . 51.3 mt -135.49 143.29 37.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.286 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.97 138.37 57.21 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.47 1.107 . . . . 0.0 110.004 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 25.6 tttt -69.4 -58.36 4.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.584 ' HB3' ' CD2' ' A' ' 97' ' ' HIS . 24.1 tttt -57.36 -24.52 55.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.585 ' CD2' ' N ' ' A' ' 97' ' ' HIS . 0.1 OUTLIER -121.93 44.73 2.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.614 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -78.06 -44.4 26.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 109.335 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -68.62 -21.01 64.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.322 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.543 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 3.1 mtpt -74.7 -11.65 60.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 51.3 63.74 2.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.543 ' CD1' ' O ' ' A' ' 100' ' ' LYS . 46.7 m0 -113.3 131.98 55.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 107.99 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.567 ' CD2' ' HB ' ' A' ' 125' ' ' ILE . 88.4 m-85 -112.78 148.77 34.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.498 ' O ' ' C ' ' A' ' 105' ' ' GLY . 40.6 t -72.63 -25.95 23.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.583 ' HA2' ' CE1' ' A' ' 127' ' ' PHE . . . -29.87 143.73 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.487 1.117 . . . . 0.0 111.02 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -106.84 149.95 26.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.778 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 111' ' ' SER . 1.1 mtpt -55.17 -171.18 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.84 -9.39 18.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.093 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -92.87 25.21 3.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 64.0 39.78 97.59 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.512 1.132 . . . . 0.0 111.053 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.49 ' O ' ' N ' ' A' ' 107' ' ' LYS . 49.3 m -135.52 166.08 24.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 0.758 . . . . 0.0 110.011 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 19.4 p -82.22 135.65 35.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 108.302 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 114' ' ' ARG . 7.5 tttt -90.22 107.53 19.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -36.78 142.49 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 110.278 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.46 ' C ' ' H ' ' A' ' 117' ' ' ARG . . . -50.07 -59.99 7.03 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.471 1.107 . . . . 0.0 111.034 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.405 ' O ' ' HG2' ' A' ' 117' ' ' ARG . 18.2 Cg_endo -75.0 38.05 0.51 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.506 1.792 . . . . 0.0 111.004 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.46 ' H ' ' C ' ' A' ' 115' ' ' GLY . 2.7 mtt-85 -144.39 17.0 1.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.274 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.7 p -118.29 166.48 12.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.4 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -175.36 -176.01 0.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.587 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -86.49 142.59 28.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 111.3 -20.01 23.87 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -85.49 154.68 21.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 0.774 . . . . 0.0 110.303 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.07 16.54 16.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.415 ' HB3' ' ND2' ' A' ' 13' ' ' ASN . . . -94.1 -45.17 7.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.567 ' HB ' ' CD2' ' A' ' 103' ' ' PHE . 1.8 pt -65.79 -25.66 36.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.098 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.573 ' HB3' ' CD2' ' A' ' 89' ' ' TYR . 47.7 mt -73.65 108.03 6.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.583 ' CE1' ' HA2' ' A' ' 105' ' ' GLY . 1.7 m-30 -119.38 141.68 48.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.963 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.404 ' CD1' ' HA ' ' A' ' 89' ' ' TYR . 5.9 tp -127.81 126.63 23.92 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 117.22 4.83 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.46 1.768 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.414 ' HA ' ' HD3' ' A' ' 131' ' ' PRO . 35.9 mt -100.54 133.59 21.19 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 130' ' ' LEU . 18.1 Cg_endo -74.96 132.26 15.27 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.518 1.799 . . . . 0.0 111.001 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.422 ' HB ' ' CD1' ' A' ' 8' ' ' LEU . 6.1 p -118.33 -5.33 11.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 28.8 t -179.94 96.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.991 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.2 m -147.01 174.17 11.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.127 . . . . 0.0 110.049 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 177.77 -57.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.321 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.55 ' CD2' ' N ' ' A' ' 137' ' ' GLU . 0.0 OUTLIER -52.35 167.82 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.55 ' N ' ' CD2' ' A' ' 136' ' ' LEU . 0.5 OUTLIER -141.41 152.17 44.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . 0.448 ' O ' ' CD2' ' A' ' 139' ' ' HIS . 1.3 t-80 -88.27 123.79 33.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 1.077 . . . . 0.0 109.585 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . 0.448 ' CD2' ' O ' ' A' ' 138' ' ' HIS . 0.7 OUTLIER -179.17 100.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.606 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 46.7 t60 -129.57 103.15 6.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.581 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -112.29 149.94 31.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 109.606 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -159.41 154.32 24.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.597 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.577 179.988 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.513 0.197 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -80.26 -40.88 26.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -145.04 111.51 5.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.45 94.84 4.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.4 pttt -133.3 152.0 78.6 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 159.49 41.27 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.499 1.789 . . . . 0.0 110.982 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.5 mtmt -142.49 155.02 45.01 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.436 HD23 ' CD1' ' A' ' 37' ' ' ILE . 1.0 OUTLIER -103.56 139.91 38.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.571 ' HB3' ' CD2' ' A' ' 127' ' ' PHE . 1.9 mm? -91.63 115.04 27.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.255 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.516 ' O ' ' CD1' ' A' ' 127' ' ' PHE . 17.8 t80 -84.32 141.52 30.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 15' ' ' GLY . 20.9 t -116.4 70.86 0.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 108.339 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 11' ' ' CYS . 5.2 p -35.85 -35.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.001 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' A' ' 11' ' ' CYS . 14.2 t30 -42.24 -48.65 4.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -124.93 -38.4 0.5 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 11' ' ' CYS . . . 103.23 58.94 0.73 Allowed Glycine 0 CA--C 1.531 1.031 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.416 ' CD2' ' HG2' ' A' ' 30' ' ' ARG . 14.9 m80 -135.48 167.07 21.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 0.761 . . . . 0.0 109.639 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -110.41 142.05 42.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.7 tp -78.51 114.25 17.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.441 ' HB3' ' CG2' ' A' ' 37' ' ' ILE . 4.6 ptm180 -117.54 154.48 31.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.298 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.447 ' CD1' ' HB2' ' A' ' 60' ' ' LEU . 6.0 mt -124.5 117.08 49.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.467 HD11 ' CG2' ' A' ' 25' ' ' THR . 23.8 mt -82.21 157.61 67.99 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.439 ' CB ' HG23 ' A' ' 56' ' ' THR . 18.5 Cg_endo -74.97 -1.44 11.22 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.542 1.811 . . . . 0.0 111.019 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.96 6.72 47.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.23 40.86 27.91 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.558 1.161 . . . . 0.0 110.982 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.467 ' CG2' HD11 ' A' ' 21' ' ' LEU . 2.2 m -122.41 146.62 47.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 0.762 . . . . 0.0 110.441 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.3 t -129.72 121.11 51.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -144.75 161.92 38.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.09 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -90.67 138.46 14.41 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.499 1.124 . . . . 0.0 110.984 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.449 HG21 ' CG2' ' A' ' 37' ' ' ILE . 1.7 t -140.5 145.27 36.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 0.785 . . . . 0.0 110.37 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.416 ' HG2' ' CD2' ' A' ' 16' ' ' HIS . 1.3 ptt85 -117.99 36.49 4.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.3 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -121.37 87.39 2.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -40.65 -34.27 0.35 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.331 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.95 -49.68 3.26 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 110.038 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -48.07 136.37 11.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -102.13 -19.37 15.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.262 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.556 ' CD2' ' HG2' ' A' ' 55' ' ' GLU . 35.5 m80 -67.1 -33.4 75.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.586 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.449 ' CG2' HG21 ' A' ' 29' ' ' THR . 37.4 pt -56.55 -33.01 38.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -53.64 94.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.554 1.159 . . . . 0.0 110.291 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 35.2 mt -102.45 146.4 28.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.407 ' HB2' ' CG2' ' A' ' 54' ' ' THR . 0.0 OUTLIER -105.88 114.34 28.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.316 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.451 HD13 ' N ' ' A' ' 41' ' ' LEU . 0.1 OUTLIER -91.0 136.56 32.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 109.299 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.6 m -134.45 160.02 39.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.965 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -123.54 130.28 52.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.626 ' CD ' ' CE2' ' A' ' 50' ' ' TYR . 44.3 mt-10 -117.69 -49.37 2.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.305 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.68 160.41 30.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 109.972 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 97.9 t -58.01 127.54 17.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.06 32.47 73.04 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.478 1.111 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.402 ' HB3' ' CD1' ' A' ' 79' ' ' LEU . 11.2 mt-10 -140.53 137.09 33.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 0.782 . . . . 0.0 110.302 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.1 m -142.34 151.77 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.626 ' CE2' ' CD ' ' A' ' 44' ' ' GLU . 5.2 m-85 -116.38 132.63 56.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.96 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.6 mt -115.96 107.3 22.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.424 ' HG2' ' N ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -132.05 145.0 51.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.335 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.424 ' N ' ' HG2' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -82.81 137.21 34.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.964 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.407 ' CG2' ' HB2' ' A' ' 40' ' ' GLN . 9.6 p -96.2 -4.92 41.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.387 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.556 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 25.3 tp10 -85.24 -65.57 0.99 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 110.336 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.439 HG23 ' CB ' ' A' ' 22' ' ' PRO . 71.5 p -78.13 -64.81 1.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 110.398 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 127.39 46.13 0.2 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.483 1.114 . . . . 0.0 110.97 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -129.05 162.11 28.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 0.793 . . . . 0.0 110.286 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.468 ' CD1' ' N ' ' A' ' 59' ' ' TYR . 1.7 m-30 -111.6 138.89 47.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 111.036 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.447 ' HB2' ' CD1' ' A' ' 20' ' ' ILE . 2.7 tp -77.32 118.31 19.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -136.53 149.23 48.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 55.6 ttm -104.09 117.62 34.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 111.02 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.62 -162.98 0.29 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 72.4 p -87.14 -18.4 30.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.367 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -66.64 -22.61 66.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 99.76 -7.94 59.53 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.421 HD11 ' N ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -91.98 170.06 10.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 0.777 . . . . 0.0 109.276 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.407 ' CD1' HG12 ' A' ' 104' ' ' VAL . 3.4 mt -103.79 144.69 31.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.541 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 3.4 p90 -148.62 163.87 35.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -91.65 125.63 8.13 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.518 1.136 . . . . 0.0 111.019 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.7 t -92.38 140.01 30.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 0.769 . . . . 0.0 109.987 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -75.56 -32.03 60.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.5 p -120.79 156.82 55.94 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.389 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 108.99 2.84 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.521 1.801 . . . . 0.0 110.995 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 44.2 m-20 -127.04 154.84 44.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -47.3 -28.27 1.91 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 110.318 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -60.14 -25.15 65.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.303 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 33.4 m -82.45 -21.27 35.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 108.295 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.552 HD11 ' CD2' ' A' ' 50' ' ' TYR . 10.1 tp -86.51 127.94 34.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -124.3 163.75 21.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 111.003 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.441 ' CD2' ' N ' ' A' ' 81' ' ' LEU . 0.1 OUTLIER -104.01 125.49 50.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.411 ' OE1' ' N ' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -108.57 148.81 29.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.312 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.411 ' N ' ' OE1' ' A' ' 82' ' ' GLU . 0.4 OUTLIER -148.31 166.25 28.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.287 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.409 HD12 ' N ' ' A' ' 85' ' ' GLU . 0.1 OUTLIER -107.52 127.93 54.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.409 ' N ' HD12 ' A' ' 84' ' ' LEU . 2.8 mm-40 -103.25 164.77 11.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 110.297 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -86.11 49.78 1.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 110.318 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -152.82 26.19 0.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 53.04 33.83 15.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.576 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.444 ' CE1' HD11 ' A' ' 128' ' ' LEU . 3.1 m-85 -133.57 153.79 51.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.955 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -114.85 156.82 24.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 72.5 p -124.69 166.88 15.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.381 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -147.06 132.69 18.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 111.012 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.527 HD13 ' CE2' ' A' ' 103' ' ' PHE . 61.0 mt -130.93 147.96 33.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 98' ' ' ALA . 40.7 t -76.48 138.05 40.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.006 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.402 ' C ' ' N ' ' A' ' 97' ' ' HIS . 0.1 OUTLIER -62.74 -74.16 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.561 ' HB3' ' CD2' ' A' ' 97' ' ' HIS . 1.1 tttt -44.48 -28.46 0.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.26 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.561 ' CD2' ' HB3' ' A' ' 96' ' ' LYS . 0.2 OUTLIER -122.44 52.11 1.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.616 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 94' ' ' SER . . . -97.9 -31.04 12.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -72.98 -24.04 60.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.326 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.592 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 2.4 mttt -79.81 1.23 27.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.242 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 45.78 64.78 1.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.323 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.592 ' CD1' ' O ' ' A' ' 100' ' ' LYS . 50.8 m0 -112.29 133.14 54.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 108.015 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.527 ' CE2' HD13 ' A' ' 93' ' ' ILE . 92.1 m-85 -112.73 148.7 34.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.417 HG11 ' N ' ' A' ' 105' ' ' GLY . 70.0 t -63.51 -95.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.575 ' HA2' ' CE1' ' A' ' 127' ' ' PHE . . . 53.49 169.89 0.03 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.483 ' CD2' ' HA ' ' A' ' 112' ' ' CYS . 2.1 mt -137.14 132.9 34.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 0.785 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 111' ' ' SER . 44.7 mttt -50.83 179.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.76 -6.19 59.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -88.77 8.99 26.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 71.54 38.44 61.78 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.525 1.141 . . . . 0.0 111.028 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 107' ' ' LYS . 42.5 p -136.27 166.75 22.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 0.791 . . . . 0.0 109.986 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . 0.483 ' HA ' ' CD2' ' A' ' 106' ' ' LEU . 58.7 m -67.38 134.82 52.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 108.312 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.444 ' CE ' ' CB ' ' A' ' 124' ' ' ALA . 17.9 ttpp -90.88 126.92 36.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -37.67 153.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.321 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.53 ' N ' ' CD ' ' A' ' 116' ' ' PRO . . . -79.35 -49.34 6.3 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.527 1.142 . . . . 0.0 111.026 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.561 ' HA ' ' CD1' ' A' ' 102' ' ' TRP . 18.3 Cg_endo -75.01 4.92 4.32 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.476 1.777 . . . . 0.0 111.007 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 3.2 mmt-85 -115.96 40.8 2.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.326 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.434 ' HA ' ' NZ ' ' A' ' 113' ' ' LYS . 16.6 p -126.63 167.12 16.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.367 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 -163.89 -179.06 6.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.599 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.403 ' CE1' ' HZ ' ' A' ' 103' ' ' PHE . 71.2 m-85 -94.39 137.89 32.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 111.031 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 102.9 -6.97 52.31 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.453 1.095 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -80.21 161.2 25.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 0.773 . . . . 0.0 110.288 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.39 8.57 42.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.444 ' CB ' ' CE ' ' A' ' 113' ' ' LYS . . . -91.37 -50.39 5.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.246 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.524 ' HB ' ' CD2' ' A' ' 103' ' ' PHE . 1.0 OUTLIER -64.87 -25.25 37.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 84.5 mt -74.19 106.83 6.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.575 ' CE1' ' HA2' ' A' ' 105' ' ' GLY . 0.7 OUTLIER -122.94 145.81 48.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 111.025 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.502 ' O ' ' CD2' ' A' ' 130' ' ' LEU . 0.6 OUTLIER -127.64 117.73 21.18 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 118.67 5.34 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.504 1.791 . . . . 0.0 111.005 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.502 ' CD2' ' O ' ' A' ' 128' ' ' LEU . 3.9 mm? -100.23 149.14 35.78 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 141.24 26.33 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.498 1.788 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -149.63 163.25 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 44.26 80.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.986 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -155.74 107.87 2.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 109.989 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -155.02 140.56 17.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -54.43 -170.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 109.265 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 58.66 155.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.337 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 56.1 93.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.545 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 7.8 t-160 -173.42 95.44 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.569 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER 68.05 156.46 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.597 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -83.19 145.5 29.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 109.63 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -91.76 125.72 36.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.16 . . . . 0.0 109.581 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 12.5 p-80 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.578 179.995 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.438 ' O ' ' N ' ' A' ' 3' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.47 0.176 . . . . 0.0 110.993 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.0 m120 60.95 -84.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.335 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.438 ' N ' ' O ' ' A' ' 1' ' ' MET . 68.4 m-85 -115.79 144.22 44.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.2 ptpt -78.27 166.0 23.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.339 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.6 tttp -169.58 65.3 0.54 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 149.14 35.97 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.492 1.785 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.461 ' CB ' ' O ' ' A' ' 130' ' ' LEU . 0.0 OUTLIER -144.91 170.49 16.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.63 ' CB ' ' CD1' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -110.16 148.27 32.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.575 ' HB3' ' CE1' ' A' ' 127' ' ' PHE . 2.5 mp -92.06 104.08 16.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -72.64 101.92 3.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 111.0 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 15' ' ' GLY . 42.5 t -79.92 70.48 6.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 108.231 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 11' ' ' CYS . 78.7 p -36.35 -33.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.122 . . . . 0.0 110.019 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 11' ' ' CYS . 6.7 t30 -40.46 -50.38 2.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.614 ' O ' ' CE1' ' A' ' 16' ' ' HIS . . . -141.93 13.46 2.62 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.503 1.127 . . . . 0.0 110.969 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.517 ' O ' ' CG ' ' A' ' 16' ' ' HIS . . . 57.21 91.59 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.614 ' CE1' ' O ' ' A' ' 14' ' ' GLY . 52.3 m80 -158.65 160.99 37.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.449 0.735 . . . . 0.0 109.611 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.63 ' CD1' ' CB ' ' A' ' 8' ' ' LEU . 16.9 m-85 -109.54 142.07 41.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 0.0 111.006 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.9 tp -79.21 112.79 16.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.433 ' HB3' ' CG2' ' A' ' 37' ' ' ILE . 2.0 ptm180 -117.68 151.8 36.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 110.289 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.2 mt -124.85 116.68 47.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.475 HD12 ' CG2' ' A' ' 25' ' ' THR . 26.5 mt -78.63 157.51 77.02 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.13 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.44 ' CA ' HG21 ' A' ' 56' ' ' THR . 18.3 Cg_endo -75.01 -4.04 14.82 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.495 1.787 . . . . 0.0 111.025 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.09 6.92 47.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.74 46.82 10.61 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.527 1.142 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.475 ' CG2' HD12 ' A' ' 21' ' ' LEU . 1.2 m -126.6 147.51 49.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 110.364 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.3 t -130.37 120.83 49.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -147.91 161.44 41.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -89.88 153.57 23.17 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.545 1.153 . . . . 0.0 111.006 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.6 t -162.37 125.2 2.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 0.742 . . . . 0.0 110.386 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.48 54.46 1.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -143.18 86.3 1.9 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.265 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.462 ' O ' ' C ' ' A' ' 33' ' ' SER . 1.2 mpp_? -41.13 -41.62 1.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.462 ' C ' ' O ' ' A' ' 32' ' ' ARG . 0.3 OUTLIER -34.47 -36.71 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.979 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 32' ' ' ARG . 0.4 OUTLIER -57.7 132.38 53.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.256 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -104.1 21.17 16.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 36.4 m80 -120.48 14.34 11.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.65 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.433 ' CG2' ' HB3' ' A' ' 19' ' ' ARG . 15.7 pt -102.87 -35.63 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -46.68 97.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.429 HD12 ' CG2' ' A' ' 51' ' ' ILE . 15.2 mt -103.78 146.74 28.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.436 ' HG3' ' CG2' ' A' ' 54' ' ' THR . 0.0 OUTLIER -105.75 119.95 40.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 0.0 110.296 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.05 136.27 39.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.9 m -137.26 158.83 43.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.002 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -122.4 124.44 43.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.437 ' CG ' ' CD2' ' A' ' 50' ' ' TYR . 3.8 mm-40 -104.48 -52.64 2.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.091 . . . . 0.0 110.336 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -128.22 162.66 26.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.007 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.4 p -57.92 122.42 7.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 109.267 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.73 16.28 79.4 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.546 1.154 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -127.11 133.48 50.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 0.751 . . . . 0.0 110.312 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.0 m -140.8 147.52 22.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.437 ' CD2' ' CG ' ' A' ' 44' ' ' GLU . 0.7 OUTLIER -115.67 145.32 42.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.997 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.429 ' CG2' HD12 ' A' ' 39' ' ' LEU . 8.0 mt -126.43 113.19 32.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.406 ' HG2' ' N ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -131.79 143.03 49.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.41 ' HA ' ' CD2' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -78.32 136.65 37.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.038 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.497 ' N ' ' OE2' ' A' ' 55' ' ' GLU . 79.4 p -94.77 19.55 9.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.418 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.497 ' OE2' ' N ' ' A' ' 54' ' ' THR . 1.1 pm0 -112.76 -63.31 1.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.44 HG21 ' CA ' ' A' ' 22' ' ' PRO . 13.9 p -88.1 -46.87 8.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.356 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 108.0 38.69 1.96 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.502 1.126 . . . . 0.0 110.994 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -111.88 144.91 40.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 0.774 . . . . 0.0 110.3 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 5.2 m-30 -92.99 139.83 30.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.9 tp -77.0 117.29 18.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -139.14 150.84 46.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 109.243 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 51.2 ttm -104.18 120.58 41.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 110.953 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -71.74 -179.49 2.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 37.9 p -78.32 -6.05 53.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.41 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.46 -16.3 40.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.347 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 99.23 -9.91 61.39 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.1 157.72 19.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 0.755 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.415 HD11 ' CB ' ' A' ' 112' ' ' CYS . 5.3 mt -96.37 144.4 26.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.557 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 1.8 p90 -153.18 160.76 42.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -89.09 122.55 6.47 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.482 1.114 . . . . 0.0 110.98 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.6 t -86.73 139.86 30.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 0.0 110.001 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -70.52 -34.44 72.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.9 p -121.77 158.35 54.68 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.402 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 112.25 3.52 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.51 1.795 . . . . 0.0 111.013 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -126.98 154.46 44.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.337 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -48.7 -23.76 1.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.434 1.084 . . . . 0.0 110.277 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -64.95 -24.0 67.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.157 . . . . 0.0 110.266 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 32.4 m -82.78 -16.47 47.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 108.263 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.401 HD13 ' CE1' ' A' ' 50' ' ' TYR . 3.2 tp -87.37 129.31 35.07 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -128.53 164.43 22.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 111.037 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -104.13 131.38 51.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.2 145.36 35.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.331 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -147.78 163.9 35.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.76 127.52 49.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -97.95 164.45 12.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.312 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -89.11 40.59 0.99 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 110.335 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -143.61 19.6 1.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.466 ' O ' ' CD1' ' A' ' 128' ' ' LEU . 0.8 OUTLIER 62.27 21.83 12.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.559 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.453 ' CG ' ' HB3' ' A' ' 126' ' ' LEU . 4.3 m-85 -117.34 160.98 20.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -114.7 156.47 24.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -131.54 156.69 45.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 110.358 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -140.39 132.84 28.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 110.988 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.446 HD12 ' CE2' ' A' ' 103' ' ' PHE . 59.0 mt -130.74 141.62 45.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.61 138.93 56.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.013 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -66.42 -66.5 0.54 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.471 ' HB3' ' CD2' ' A' ' 97' ' ' HIS . 15.7 mttt -48.14 -27.41 2.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.345 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.519 ' CD2' ' N ' ' A' ' 97' ' ' HIS . 0.5 OUTLIER -122.96 52.02 1.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.632 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -91.41 -37.49 13.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.097 . . . . 0.0 109.253 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -72.51 -19.18 61.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.311 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.473 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 3.3 mtpt -81.66 -2.73 51.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 48.14 64.88 1.48 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.473 ' CD1' ' O ' ' A' ' 100' ' ' LYS . 46.9 m0 -111.67 131.89 54.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 107.981 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.446 ' CE2' HD12 ' A' ' 93' ' ' ILE . 86.0 m-85 -114.99 146.34 41.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.42 HG11 ' N ' ' A' ' 105' ' ' GLY . 79.6 t -64.81 -91.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.42 ' N ' HG11 ' A' ' 104' ' ' VAL . . . 53.01 169.2 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.532 1.145 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.412 ' CD2' ' HA ' ' A' ' 112' ' ' CYS . 3.5 mt -138.55 135.53 35.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 0.781 . . . . 0.0 109.292 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 111' ' ' SER . 6.4 mttt -53.62 -173.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -88.98 -6.94 56.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -91.74 7.17 43.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 73.96 36.78 51.45 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.46 1.1 . . . . 0.0 111.017 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 107' ' ' LYS . 3.6 m -128.18 165.75 19.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 0.785 . . . . 0.0 110.013 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . 0.415 ' CB ' HD11 ' A' ' 68' ' ' LEU . 24.4 p -73.52 135.01 43.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 108.336 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.41 ' HE3' ' CG2' ' A' ' 118' ' ' THR . 30.8 ttpt -90.93 129.37 36.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 113' ' ' LYS . 0.6 OUTLIER -38.15 150.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.578 ' N ' ' CD ' ' A' ' 116' ' ' PRO . . . -78.85 -46.54 8.39 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 115' ' ' GLY . 18.1 Cg_endo -75.03 3.43 5.64 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.474 1.776 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -119.1 44.04 2.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.142 . . . . 0.0 110.256 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.41 ' CG2' ' HE3' ' A' ' 113' ' ' LYS . 16.5 p -124.5 166.94 15.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.433 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -174.15 177.76 2.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.585 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -91.32 123.67 34.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 130.4 -17.01 5.37 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.464 1.103 . . . . 0.0 111.052 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -85.62 147.68 26.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 0.772 . . . . 0.0 110.305 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.405 ' C ' ' OD1' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -92.45 26.83 2.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -102.39 -46.16 4.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.401 HG22 ' CG ' ' A' ' 103' ' ' PHE . 6.9 pt -63.7 -28.06 44.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.453 ' HB3' ' CG ' ' A' ' 89' ' ' TYR . 19.8 mt -70.87 134.44 47.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.575 ' CE1' ' HB3' ' A' ' 9' ' ' LEU . 0.5 OUTLIER -137.59 154.43 49.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.961 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.491 ' O ' ' CD2' ' A' ' 130' ' ' LEU . 4.9 tp -134.24 109.14 11.46 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 122.7 7.37 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.556 1.819 . . . . 0.0 110.986 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.491 ' CD2' ' O ' ' A' ' 128' ' ' LEU . 3.8 mm? -103.06 140.0 20.64 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 103.91 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.477 1.778 . . . . 0.0 111.022 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 2.5 p -95.89 -5.56 10.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 170.87 128.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 110.02 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.462 ' O ' ' N ' ' A' ' 136' ' ' LEU . 59.1 p -162.74 -172.91 3.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.023 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 8.0 t70 60.55 -82.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 134' ' ' SER . 0.1 OUTLIER 58.31 -152.78 0.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 109.337 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -38.35 141.98 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.282 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . 0.492 ' CG ' ' O ' ' A' ' 138' ' ' HIS . 1.0 OUTLIER -158.74 82.21 0.8 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.59 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -85.02 -58.96 2.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.616 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 62.39 94.18 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.588 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -51.52 170.13 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.579 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -154.51 156.36 36.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.651 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.567 179.983 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.6 tpp . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.49 0.186 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 62.5 m-20 -42.05 119.51 1.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -94.61 115.84 28.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -168.29 111.92 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -171.26 91.78 0.44 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 155.46 42.74 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.538 1.809 . . . . 0.0 110.973 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.9 mttm -144.64 152.92 41.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.514 ' CD2' ' HB ' ' A' ' 132' ' ' VAL . 0.3 OUTLIER -114.07 151.13 32.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.288 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.552 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 1.9 mm? -95.96 129.12 43.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -100.73 120.35 39.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 111.01 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 12' ' ' SER . 49.1 t -103.9 72.51 1.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 108.282 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 11' ' ' CYS . 1.9 t -35.61 -38.01 0.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.11 . . . . 0.0 110.012 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' A' ' 12' ' ' SER . 41.6 t30 -38.44 -56.93 1.2 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -117.08 -35.07 1.15 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.538 1.149 . . . . 0.0 111.018 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 11' ' ' CYS . . . 96.77 50.34 1.82 Allowed Glycine 0 CA--C 1.53 1.031 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.589 ' HE2' HH21 ' A' ' 30' ' ' ARG . 23.4 m80 -120.31 149.98 41.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 0.771 . . . . 0.0 109.577 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.586 ' CE2' ' HG3' ' A' ' 32' ' ' ARG . 3.7 m-85 -96.55 139.79 32.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 111.024 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.6 tp -79.1 114.99 18.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.445 ' HB3' ' CG2' ' A' ' 37' ' ' ILE . 5.5 ptm180 -125.64 154.62 42.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.578 1.174 . . . . 0.0 110.302 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 56.0 mt -124.16 121.66 62.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.142 . . . . 0.0 109.302 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.452 HD13 ' CG2' ' A' ' 25' ' ' THR . 28.4 mt -86.08 157.63 56.62 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 0.36 9.02 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.523 1.801 . . . . 0.0 110.983 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.71 -0.34 40.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.339 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.23 43.05 7.67 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.447 1.092 . . . . 0.0 110.956 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.452 ' CG2' HD13 ' A' ' 21' ' ' LEU . 2.4 m -126.84 147.28 50.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 0.772 . . . . 0.0 110.389 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.2 t -135.62 122.97 35.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER -146.23 162.92 37.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -89.16 140.16 15.59 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.479 1.112 . . . . 0.0 111.047 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.1 t -136.6 162.44 33.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 0.75 . . . . 0.0 110.427 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.589 HH21 ' HE2' ' A' ' 16' ' ' HIS . 78.9 mtt180 -123.16 42.08 3.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 33' ' ' SER . 4.7 t0 -133.05 70.9 1.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.586 ' HG3' ' CE2' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -38.03 -31.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.31 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 31' ' ' ASP . 0.3 OUTLIER -46.77 -38.28 9.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.0 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -43.8 143.63 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -102.6 -25.51 13.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.281 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 54.7 m80 -65.24 -31.47 72.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.618 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.445 ' CG2' ' HB3' ' A' ' 19' ' ' ARG . 44.3 pt -59.85 -36.21 65.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -46.78 95.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.277 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 37' ' ' ILE . 37.7 mt -106.32 140.84 38.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.462 ' HG2' ' CG2' ' A' ' 54' ' ' THR . 0.0 OUTLIER -104.99 114.56 28.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.128 . . . . 0.0 110.35 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.423 ' N ' HD12 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -91.83 135.99 33.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.5 m -133.34 161.02 35.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 110.026 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -120.37 129.47 53.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.414 ' CG ' ' CD2' ' A' ' 50' ' ' TYR . 4.2 mm-40 -112.2 -52.66 2.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.7 165.63 20.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.98 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.8 p -60.05 121.27 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.65 23.96 68.7 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.532 1.145 . . . . 0.0 110.971 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -133.64 133.31 41.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 0.781 . . . . 0.0 110.318 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 6.2 m -140.91 148.45 21.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.157 . . . . 0.0 109.329 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.42 ' CE1' HD11 ' A' ' 79' ' ' LEU . 0.9 OUTLIER -116.32 131.98 56.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 111.009 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.5 mt -117.69 113.22 41.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -133.86 152.8 51.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.89 137.26 37.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.462 ' CG2' ' HG2' ' A' ' 40' ' ' GLN . 71.5 p -88.31 -10.05 50.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.465 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.43 -73.93 0.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 110.274 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 82.2 p -69.41 -66.24 0.61 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.45 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 122.82 47.55 0.26 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.477 1.111 . . . . 0.0 110.998 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -125.03 136.11 53.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 0.732 . . . . 0.0 110.315 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -79.7 144.15 33.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 0.0 111.003 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.7 tp -77.37 119.41 20.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -138.35 147.77 43.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.133 . . . . 0.0 109.254 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 31.6 ttm -104.21 116.3 31.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 111.029 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.59 ' OD2' ' CD2' ' A' ' 69' ' ' TYR . 1.0 OUTLIER -66.9 -171.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 61.5 p -83.06 -15.35 51.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.403 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.463 ' HB3' ' CD2' ' A' ' 67' ' ' LEU . 4.3 m-20 -77.88 -8.56 58.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.7 -13.67 65.09 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.486 1.116 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.463 ' CD2' ' HB3' ' A' ' 65' ' ' ASP . 0.3 OUTLIER -78.83 156.48 28.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 0.753 . . . . 0.0 109.321 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.8 mt -95.84 142.18 28.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.267 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.59 ' CD2' ' OD2' ' A' ' 63' ' ' ASP . 1.5 p90 -151.68 155.03 37.5 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -88.21 128.22 8.96 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.1 t -92.01 139.99 30.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 0.742 . . . . 0.0 109.999 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -62.3 -37.62 86.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.309 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.4 p -123.48 160.25 51.51 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.378 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 111.14 3.26 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.523 1.801 . . . . 0.0 111.029 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 65.4 m-80 -123.53 157.21 34.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.308 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -50.87 -24.57 3.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 110.287 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -69.14 -11.01 60.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 34.7 m -97.64 -15.04 20.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 108.337 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.42 HD11 ' CE1' ' A' ' 50' ' ' TYR . 3.4 tp -84.89 122.91 29.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -124.4 164.36 19.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.24 128.02 51.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.414 ' HG2' ' N ' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -109.15 143.91 37.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 110.304 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.414 ' N ' ' HG2' ' A' ' 82' ' ' GLU . 0.1 OUTLIER -142.95 165.73 26.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.348 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.48 113.81 25.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.474 ' HG3' ' CG2' ' A' ' 91' ' ' THR . 2.4 mm-40 -102.72 165.44 11.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.34 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -66.54 178.8 1.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.358 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.402 ' HB3' ' CE2' ' A' ' 89' ' ' TYR . 25.6 m-20 61.9 15.06 6.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 57.47 70.37 0.66 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.611 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.537 ' CE1' HD12 ' A' ' 128' ' ' LEU . 18.0 m-85 -144.1 164.87 29.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.967 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -122.4 153.31 39.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.474 ' CG2' ' HG3' ' A' ' 85' ' ' GLU . 18.5 p -129.96 163.45 26.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.371 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -146.7 133.74 20.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.978 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.568 HD12 ' CE2' ' A' ' 103' ' ' PHE . 32.9 mt -134.08 137.1 52.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.1 t -64.36 138.17 58.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.983 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.75 -70.07 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.259 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.545 ' HB3' ' CD2' ' A' ' 97' ' ' HIS . 2.6 mttt -46.24 -29.28 1.54 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.545 ' CD2' ' HB3' ' A' ' 96' ' ' LYS . 0.3 OUTLIER -122.24 54.72 1.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.58 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.43 ' HA ' ' CG2' ' A' ' 93' ' ' ILE . . . -92.02 -35.95 13.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -73.78 -19.63 60.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.566 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 1.1 mtpt -77.65 -4.01 43.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 47.57 64.16 1.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.566 ' CD1' ' O ' ' A' ' 100' ' ' LYS . 49.3 m0 -112.6 132.51 55.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 107.968 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.568 ' CE2' HD12 ' A' ' 93' ' ' ILE . 95.4 m-85 -114.33 148.89 36.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.493 ' O ' ' C ' ' A' ' 105' ' ' GLY . 31.3 t -73.53 -21.56 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.493 ' C ' ' O ' ' A' ' 104' ' ' VAL . . . -30.31 145.08 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.515 1.134 . . . . 0.0 111.013 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.6 mt -106.63 148.68 28.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 0.78 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 111' ' ' SER . 3.4 mtpt -55.7 -168.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.407 ' CG ' ' O ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -104.13 -9.72 18.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 23.1 m-20 -91.91 23.63 3.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.311 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.552 ' HA2' ' CD2' ' A' ' 16' ' ' HIS . . . 63.48 41.41 99.28 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.423 1.077 . . . . 0.0 111.028 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.481 ' O ' ' N ' ' A' ' 107' ' ' LYS . 4.8 m -137.84 164.85 27.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 0.77 . . . . 0.0 110.033 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 26.8 p -75.62 135.16 40.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 108.261 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 114' ' ' ARG . 13.5 tttt -91.28 112.93 25.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.309 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 113' ' ' LYS . 0.1 OUTLIER -36.62 130.23 0.75 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.498 ' N ' ' CD ' ' A' ' 116' ' ' PRO . . . -46.13 -51.31 11.51 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 115' ' ' GLY . 18.2 Cg_endo -74.95 7.68 2.74 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.475 1.776 . . . . 0.0 110.996 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 7.1 mmt180 -122.17 42.72 3.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.331 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.437 ' O ' ' CD2' ' A' ' 119' ' ' HIS . 14.1 p -129.56 167.47 17.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 110.393 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.442 ' HB2' ' NE2' ' A' ' 122' ' ' GLN . 41.0 m-70 -147.47 173.04 13.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.153 . . . . 0.0 109.596 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.476 ' HA ' ' CD1' ' A' ' 125' ' ' ILE . 1.6 t80 -94.44 137.2 33.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 111.014 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 87.11 15.66 62.26 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.467 1.105 . . . . 0.0 111.024 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.442 ' NE2' ' HB2' ' A' ' 119' ' ' HIS . 10.8 mt-30 -96.31 136.89 36.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 0.786 . . . . 0.0 110.312 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.418 ' HG2' ' N ' ' A' ' 13' ' ' ASN . 0.6 OUTLIER -57.28 -17.35 11.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -69.47 -62.05 1.54 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.551 ' HB ' ' CD2' ' A' ' 103' ' ' PHE . 1.3 pt -58.54 -33.45 48.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 52.1 mt -62.25 100.79 0.19 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.095 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.552 ' CD1' ' HB3' ' A' ' 9' ' ' LEU . 1.6 m-85 -109.14 132.78 53.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 0.0 110.994 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.537 HD12 ' CE1' ' A' ' 89' ' ' TYR . 0.8 OUTLIER -116.39 120.25 35.09 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . 0.447 ' HD2' ' CD2' ' A' ' 128' ' ' LEU . 18.2 Cg_endo -75.04 122.96 7.52 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.458 1.767 . . . . 0.0 111.03 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 36.9 mt -106.26 150.76 39.81 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 154.89 43.01 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.536 1.809 . . . . 0.0 111.02 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.514 ' HB ' ' CD2' ' A' ' 8' ' ' LEU . 0.5 OUTLIER -157.22 164.16 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 109.325 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 7.2 t 51.89 91.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 110.017 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.33 133.51 52.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.996 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -171.96 108.78 0.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -40.17 157.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.35 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 175.24 126.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.277 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -128.53 170.64 12.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.578 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 11.2 p-80 -109.58 163.62 13.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.615 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -103.4 116.04 31.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.156 . . . . 0.0 109.591 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -65.16 172.49 3.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.599 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 33.7 m80 -116.38 165.26 13.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.618 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 42.2 t60 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.599 179.977 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.471 0.177 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 32.9 t-20 50.81 91.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -111.46 -50.34 2.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 111.02 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 43.92 76.43 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 109.348 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -168.86 78.05 0.75 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 163.74 34.78 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.51 1.795 . . . . 0.0 111.028 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -135.17 162.37 32.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -118.15 143.89 46.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.574 HD23 ' CD2' ' A' ' 127' ' ' PHE . 2.9 mp -92.19 127.79 37.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 109.346 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.465 ' HB2' ' CD2' ' A' ' 130' ' ' LEU . 34.3 t80 -104.72 119.3 38.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 0.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 13' ' ' ASN . 42.3 t -96.91 77.18 2.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 108.325 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 11' ' ' CYS . 25.1 p -37.74 -31.88 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.986 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 11' ' ' CYS . 23.9 t30 -40.47 -67.43 0.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 109.246 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.41 ' CA ' ' HG2' ' A' ' 108' ' ' LYS . . . -116.01 -20.17 5.34 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.518 1.137 . . . . 0.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.476 ' O ' ' CG ' ' A' ' 16' ' ' HIS . . . 85.75 95.44 0.78 Allowed Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.582 ' CD2' ' HB2' ' A' ' 30' ' ' ARG . 73.2 m80 -158.13 178.18 10.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 0.751 . . . . 0.0 109.597 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.409 ' CE2' ' HG2' ' A' ' 32' ' ' ARG . 10.6 m-85 -127.21 141.91 51.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.981 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.458 HD23 ' CD1' ' A' ' 60' ' ' LEU . 11.9 tp -79.12 114.04 17.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.486 ' CZ ' ' HB ' ' A' ' 29' ' ' THR . 0.4 OUTLIER -118.56 151.65 37.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 110.347 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.448 ' CD1' HD21 ' A' ' 39' ' ' LEU . 13.3 mt -122.5 108.21 21.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.448 ' CD2' ' HD2' ' A' ' 19' ' ' ARG . 34.9 mt -83.02 157.5 66.07 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.441 ' CB ' HG21 ' A' ' 56' ' ' THR . 18.2 Cg_endo -75.0 -0.65 10.23 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.481 1.779 . . . . 0.0 111.0 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.52 -8.61 28.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.169 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 88.86 47.96 4.03 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.459 1.1 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.407 ' CG2' ' OD2' ' A' ' 27' ' ' ASP . 3.0 m -126.11 134.47 51.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 0.763 . . . . 0.0 110.422 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.8 t -132.87 106.01 9.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.407 ' OD2' ' CG2' ' A' ' 25' ' ' THR . 0.6 OUTLIER -150.39 162.16 41.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.43 130.63 15.8 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.494 ' O ' ' C ' ' A' ' 30' ' ' ARG . 4.4 t -120.03 -5.38 10.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 0.0 110.41 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.582 ' HB2' ' CD2' ' A' ' 16' ' ' HIS . 17.4 ttt180 31.39 40.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 29' ' ' THR . 0.4 OUTLIER -132.64 109.75 9.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.409 ' HG2' ' CE2' ' A' ' 17' ' ' PHE . 5.1 mtm-85 -70.26 -22.86 62.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.86 -43.71 77.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.973 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.46 144.4 4.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.117 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -108.05 0.95 22.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.291 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.478 ' CD2' ' HG2' ' A' ' 55' ' ' GLU . 7.0 m80 -99.89 0.4 41.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.553 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 10.3 pt -85.42 -34.35 8.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -54.31 92.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.336 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.448 HD21 ' CD1' ' A' ' 20' ' ' ILE . 26.6 mt -98.31 146.6 25.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.45 ' HB2' ' CG2' ' A' ' 54' ' ' THR . 0.0 OUTLIER -105.73 115.5 30.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 110.276 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.42 135.93 34.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.346 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.7 t -131.78 163.28 28.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.996 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -122.66 127.19 48.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -113.98 -44.99 3.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.127 . . . . 0.0 110.289 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.21 166.2 18.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.971 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 77.9 t -68.79 114.4 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.11 5.73 70.04 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.43 1.082 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.45 ' HG2' ' CD2' ' A' ' 81' ' ' LEU . 11.0 mt-10 -120.17 142.19 49.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 0.732 . . . . 0.0 110.252 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 36.0 m -138.06 151.4 25.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -118.84 133.22 55.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.8 mt -117.61 117.21 54.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.555 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 0.1 OUTLIER -127.25 152.81 46.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.255 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.8 t -81.5 137.03 35.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.988 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.45 ' CG2' ' HB2' ' A' ' 40' ' ' GLN . 35.6 p -101.29 4.52 41.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.401 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.478 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 46.5 tp10 -109.62 -80.99 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.262 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.467 ' OG1' ' N ' ' A' ' 57' ' ' GLY . 62.3 p -59.06 -77.35 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.423 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.467 ' N ' ' OG1' ' A' ' 56' ' ' THR . . . 141.39 44.75 0.06 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.456 1.098 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -129.32 160.08 34.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 0.773 . . . . 0.0 110.32 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.555 ' CD1' ' HG2' ' A' ' 52' ' ' LYS . 5.2 m-30 -104.59 143.23 33.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 111.022 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.458 ' CD1' HD23 ' A' ' 18' ' ' LEU . 3.9 tp -77.34 110.47 12.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -140.73 154.34 46.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.473 ' HE3' ' CD2' ' A' ' 68' ' ' LEU . 5.0 tpp -104.69 131.1 52.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.404 ' CG ' ' CE2' ' A' ' 69' ' ' TYR . 0.4 OUTLIER -82.45 -168.4 1.98 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.5 p -82.97 -1.04 51.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.407 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -91.8 -6.06 52.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.41 ' HA3' ' CD ' ' A' ' 116' ' ' PRO . . . 82.56 7.7 87.12 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.5 1.125 . . . . 0.0 111.028 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.66 168.42 9.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 0.787 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.473 ' CD2' ' HE3' ' A' ' 62' ' ' MET . 7.5 mt -106.3 140.63 38.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.535 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 3.3 p90 -146.19 154.33 41.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 110.983 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -75.56 111.08 3.23 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.507 1.13 . . . . 0.0 110.979 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.07 131.82 34.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 0.801 . . . . 0.0 109.99 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -72.49 -51.86 18.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 110.303 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.6 p -98.83 156.58 35.4 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.392 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 115.33 4.26 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.462 1.77 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.423 ' O ' ' N ' ' A' ' 78' ' ' CYS . 53.1 m-80 -127.0 151.93 47.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 109.274 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -45.85 -31.09 1.94 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.117 . . . . 0.0 110.325 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.593 ' HG2' ' HE2' ' A' ' 97' ' ' HIS . 46.5 mt-10 -59.07 -32.53 69.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.305 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.423 ' N ' ' O ' ' A' ' 75' ' ' ASN . 61.7 m -72.63 -17.54 61.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.56 1.162 . . . . 0.0 108.277 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.5 tp -90.57 117.83 29.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.553 ' CE1' ' O ' ' A' ' 77' ' ' GLU . 23.9 m-85 -118.76 164.13 15.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.45 ' CD2' ' HG2' ' A' ' 48' ' ' GLU . 4.5 mt -104.19 127.17 51.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -108.68 148.41 30.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 110.255 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.74 166.63 30.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 110.326 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -95.63 121.64 37.54 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.495 ' HG3' ' CG2' ' A' ' 91' ' ' THR . 1.2 mm-40 -112.33 161.52 16.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.27 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -63.69 175.57 1.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.4 m-20 63.54 13.45 7.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 2.7 t60 60.22 63.8 1.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.137 . . . . 0.0 109.595 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.554 ' CE1' HD11 ' A' ' 128' ' ' LEU . 2.7 m-85 -142.89 152.57 42.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.965 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -113.72 155.18 26.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.495 ' CG2' ' HG3' ' A' ' 85' ' ' GLU . 31.5 p -126.95 163.25 24.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 110.407 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -142.24 133.18 25.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 111.037 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.577 HD11 ' CE2' ' A' ' 103' ' ' PHE . 46.1 mt -137.3 139.21 44.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.8 t -61.99 138.27 58.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.964 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 24.7 tttt -73.66 -48.73 30.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.51 ' HB3' ' CD2' ' A' ' 97' ' ' HIS . 0.7 OUTLIER -63.63 -27.62 69.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.593 ' HE2' ' HG2' ' A' ' 77' ' ' GLU . 0.5 OUTLIER -121.13 37.8 4.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.597 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.54 -44.39 82.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -69.77 -12.2 61.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.321 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.534 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 13.2 mttt -83.11 -9.84 59.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.452 1.095 . . . . 0.0 109.345 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 49.61 63.67 2.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.534 ' CD1' ' O ' ' A' ' 100' ' ' LYS . 48.3 m0 -112.97 132.18 55.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 108.009 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.577 ' CE2' HD11 ' A' ' 93' ' ' ILE . 84.2 m-85 -114.25 149.16 36.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.454 ' O ' ' C ' ' A' ' 105' ' ' GLY . 23.8 t -75.15 -22.0 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.52 ' HA2' ' CE2' ' A' ' 127' ' ' PHE . . . -32.93 147.94 0.01 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.493 1.121 . . . . 0.0 110.984 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -107.29 154.13 21.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 0.766 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 111' ' ' SER . 34.3 mttm -60.97 -164.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.41 ' HG2' ' CA ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER -108.8 -6.23 15.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.26 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -92.69 5.01 52.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 84.26 31.83 24.39 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.513 1.133 . . . . 0.0 111.014 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.471 ' O ' ' N ' ' A' ' 107' ' ' LYS . 95.7 p -129.82 167.53 17.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 0.786 . . . . 0.0 109.99 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 16.1 p -76.2 135.55 39.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 108.288 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.465 ' CD ' ' CG2' ' A' ' 118' ' ' THR . 9.8 ttmm -89.78 114.48 26.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.336 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 113' ' ' LYS . 0.8 OUTLIER -38.85 131.78 1.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 110.267 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.543 ' N ' ' CD ' ' A' ' 116' ' ' PRO . . . -52.77 -48.53 56.57 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.461 1.1 . . . . 0.0 111.027 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.543 ' CD ' ' N ' ' A' ' 115' ' ' GLY . 18.4 Cg_endo -75.01 6.01 3.65 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.513 1.796 . . . . 0.0 110.973 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -116.42 8.27 14.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.306 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.465 ' CG2' ' CD ' ' A' ' 113' ' ' LYS . 1.3 p -114.52 152.55 31.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 110.412 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -163.1 -166.52 1.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.629 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -89.18 135.86 33.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 115.73 -14.51 17.27 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.53 1.144 . . . . 0.0 110.95 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -87.95 153.45 21.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 0.761 . . . . 0.0 110.343 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -95.74 20.66 9.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -99.9 -45.31 5.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.566 ' HB ' ' CD2' ' A' ' 103' ' ' PHE . 5.1 pt -56.89 -32.43 38.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 42.4 mt -62.54 123.81 19.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.574 ' CD2' HD23 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -137.89 137.05 37.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.985 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.554 HD11 ' CE1' ' A' ' 89' ' ' TYR . 0.7 OUTLIER -121.87 120.73 28.4 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . 0.402 ' HD2' ' CD2' ' A' ' 128' ' ' LEU . 18.2 Cg_endo -74.98 106.81 2.35 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.503 1.791 . . . . 0.0 111.01 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.465 ' CD2' ' HB2' ' A' ' 10' ' ' TYR . 2.7 mm? -87.41 149.02 45.85 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.351 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 133.14 16.24 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.51 1.794 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -140.5 167.72 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.5 t 43.76 84.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.153 . . . . 0.0 110.006 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.97 163.19 8.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.008 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -176.61 130.76 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.93 178.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -179.88 -66.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.322 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 67.77 104.82 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.646 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 3.3 p-80 -62.14 146.82 49.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.594 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -69.04 -74.03 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.599 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 79.9 153.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.6 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 26.8 t-80 -130.19 -69.4 0.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.573 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.614 179.999 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.463 0.173 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 174.82 140.97 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 109.325 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -135.17 -174.46 3.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.981 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.17 -63.02 1.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -162.01 70.87 2.33 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 143.81 29.72 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.534 1.807 . . . . 0.0 111.027 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -141.88 165.37 27.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.2 mt -124.44 137.9 54.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.46 ' CD1' HD22 ' A' ' 41' ' ' LEU . 1.9 mp -92.3 107.51 19.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.336 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.467 ' O ' ' CD1' ' A' ' 127' ' ' PHE . 20.5 t80 -86.23 152.01 23.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.461 ' O ' ' N ' ' A' ' 15' ' ' GLY . 43.9 t -130.26 77.09 1.77 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 108.298 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 11' ' ' CYS . 11.1 p -35.12 -35.7 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.982 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 11' ' ' CYS . 24.9 t30 -42.0 -51.9 4.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -122.05 -36.37 0.71 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 11' ' ' CYS . . . 95.35 68.54 1.02 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 29.5 m80 -141.81 171.82 13.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 0.781 . . . . 0.0 109.618 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -111.27 141.92 44.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 111.022 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.415 HD22 ' CD1' ' A' ' 60' ' ' LEU . 13.0 tp -80.12 110.51 15.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.45 ' HB3' ' CG2' ' A' ' 37' ' ' ILE . 3.7 ptm180 -111.44 152.17 27.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.271 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.9 mt -124.37 118.58 54.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.476 HD13 ' CG2' ' A' ' 25' ' ' THR . 20.2 mt -85.16 156.77 60.06 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -3.1 13.42 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.498 1.789 . . . . 0.0 111.01 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.79 -2.31 51.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.48 41.88 7.64 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.536 1.148 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.476 ' CG2' HD13 ' A' ' 21' ' ' LEU . 3.0 m -122.36 147.7 45.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 0.771 . . . . 0.0 110.374 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 15.0 t -129.53 120.2 50.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -144.86 162.22 37.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -91.65 152.37 21.43 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.512 1.132 . . . . 0.0 111.03 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.463 HG21 ' CG2' ' A' ' 37' ' ' ILE . 5.9 t -156.36 126.54 6.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 0.0 110.383 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.6 ttt-85 -101.35 55.88 0.84 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.254 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' A' ' 33' ' ' SER . 1.7 t0 -143.99 101.96 3.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -68.47 60.55 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 31' ' ' ASP . 0.1 OUTLIER -134.25 -46.55 0.77 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.986 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -44.35 132.68 5.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -90.63 28.74 1.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 3.4 m80 -126.32 -44.26 1.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 0.0 109.612 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.463 ' CG2' HG21 ' A' ' 29' ' ' THR . 41.3 pt -46.88 -28.64 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -62.16 82.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 110.34 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.449 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 18.8 mt -90.92 147.28 23.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.457 ' HB2' ' CG2' ' A' ' 54' ' ' THR . 0.0 OUTLIER -105.28 114.87 29.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.476 ' CD1' HG23 ' A' ' 51' ' ' ILE . 0.1 OUTLIER -92.88 135.64 33.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.7 m -139.9 157.18 46.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.993 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -114.94 125.41 53.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.26 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -113.03 -39.0 4.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.262 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.22 165.17 20.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.02 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.2 p -66.32 118.48 9.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.03 11.71 84.88 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.473 1.108 . . . . 0.0 111.061 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -119.42 139.79 51.45 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 0.762 . . . . 0.0 110.283 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.7 m -136.76 150.89 27.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.414 ' CZ ' ' HB2' ' A' ' 79' ' ' LEU . 2.9 m-85 -117.92 131.67 56.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 110.953 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.476 HG23 ' CD1' ' A' ' 41' ' ' LEU . 2.6 mt -115.66 108.22 24.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.562 ' HE3' ' CE1' ' A' ' 59' ' ' TYR . 31.0 tttt -127.04 145.89 50.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.449 ' HA ' ' CD2' ' A' ' 39' ' ' LEU . 0.4 OUTLIER -79.06 136.51 37.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 110.016 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.457 ' CG2' ' HB2' ' A' ' 40' ' ' GLN . 66.5 p -92.75 2.92 56.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 110.433 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.1 tp10 -104.37 -73.92 0.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 32.2 p -64.27 -57.45 9.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.422 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 115.25 27.51 3.12 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -109.03 158.75 17.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 0.766 . . . . 0.0 110.308 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.562 ' CE1' ' HE3' ' A' ' 52' ' ' LYS . 25.0 m-85 -103.98 146.97 27.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.971 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.415 ' CD1' HD22 ' A' ' 18' ' ' LEU . 6.8 tp -81.5 116.28 21.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -138.2 153.96 49.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 40.5 ttm -111.83 116.63 30.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.45 -161.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 54.6 p -85.21 -31.2 23.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 110.401 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -57.55 -18.33 18.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.48 -4.96 67.14 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.509 1.131 . . . . 0.0 110.961 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.26 162.69 16.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 0.731 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.5 mt -99.27 144.74 28.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.552 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 2.9 p90 -152.01 151.9 31.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -78.73 121.79 5.7 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.533 1.146 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.432 ' OG ' ' HB2' ' A' ' 59' ' ' TYR . 2.1 p -86.14 136.99 32.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 0.736 . . . . 0.0 110.042 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -68.14 -33.28 74.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.405 ' O ' ' OG ' ' A' ' 71' ' ' SER . 18.4 p -126.74 157.11 72.37 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.427 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 110.09 3.05 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.438 1.757 . . . . 0.0 111.008 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -125.65 157.55 36.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -46.36 -34.44 4.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 110.294 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -57.0 -27.39 61.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 110.262 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 37.1 m -80.39 -19.28 46.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 108.3 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.414 ' HB2' ' CZ ' ' A' ' 50' ' ' TYR . 2.7 tp -86.58 119.93 27.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -115.72 164.45 14.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 111.01 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.12 125.55 50.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -109.24 148.85 30.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.279 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.08 165.87 31.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.278 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -94.25 108.73 20.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.497 ' HG3' ' CG2' ' A' ' 91' ' ' THR . 2.5 mt-10 -99.43 155.7 17.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.168 . . . . 0.0 110.327 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -54.19 -173.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 110.295 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.2 m-20 55.45 20.23 3.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 2.6 t60 51.88 62.15 2.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.609 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.542 ' CD2' ' HB3' ' A' ' 126' ' ' LEU . 2.0 m-85 -142.44 163.95 31.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -115.3 161.99 17.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.497 ' CG2' ' HG3' ' A' ' 85' ' ' GLU . 1.4 p -131.46 165.82 22.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.422 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.429 ' CD1' ' O ' ' A' ' 91' ' ' THR . 39.5 m-85 -148.02 132.74 17.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.173 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.558 HD11 ' CE2' ' A' ' 103' ' ' PHE . 28.2 mt -134.87 147.0 29.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.54 138.41 44.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.033 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 12.5 tttp -62.9 -71.63 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.536 ' HB3' ' CD2' ' A' ' 97' ' ' HIS . 4.1 tttt -47.91 -30.0 3.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.545 ' CD2' ' N ' ' A' ' 97' ' ' HIS . 0.3 OUTLIER -118.91 58.33 0.85 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.596 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -98.55 -53.69 3.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.0 -23.46 19.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.539 ' HD3' ' CZ2' ' A' ' 102' ' ' TRP . 3.6 mtpt -76.08 -5.97 48.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 50.73 64.33 1.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.246 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.539 ' CZ2' ' HD3' ' A' ' 100' ' ' LYS . 47.5 m0 -112.54 131.53 55.55 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.558 ' CE2' HD11 ' A' ' 93' ' ' ILE . 80.6 m-85 -114.45 146.85 40.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 111.012 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.418 HG12 ' N ' ' A' ' 105' ' ' GLY . 70.0 t -60.77 -94.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.57 ' HA2' ' CE1' ' A' ' 127' ' ' PHE . . . 54.56 167.22 0.03 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.524 1.14 . . . . 0.0 110.951 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.469 ' CD2' ' HA ' ' A' ' 112' ' ' CYS . 3.2 mt -137.38 133.67 35.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 0.767 . . . . 0.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 111' ' ' SER . 9.7 mtmt -51.49 -177.62 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.326 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.37 -6.37 58.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -91.77 16.08 11.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 65.36 30.69 78.26 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 107' ' ' LYS . 14.7 m -124.28 167.24 14.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 0.781 . . . . 0.0 110.05 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . 0.469 ' HA ' ' CD2' ' A' ' 106' ' ' LEU . 20.9 p -72.78 135.23 45.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 108.298 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.35 126.8 35.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.462 ' CB ' ' HG3' ' A' ' 117' ' ' ARG . 0.1 OUTLIER -38.34 144.46 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.449 ' C ' ' H ' ' A' ' 117' ' ' ARG . . . -64.89 -58.54 9.65 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.469 1.105 . . . . 0.0 110.997 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.416 ' HB3' ' NE1' ' A' ' 102' ' ' TRP . 18.2 Cg_endo -75.01 40.79 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.502 1.79 . . . . 0.0 110.967 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.462 ' HG3' ' CB ' ' A' ' 114' ' ' ARG . 7.2 mmt180 -143.61 19.1 1.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.317 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.7 p -114.9 163.07 16.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.361 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -167.49 176.35 6.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.669 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -81.95 124.23 29.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 111.06 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 122.76 -7.25 9.52 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.499 1.124 . . . . 0.0 111.068 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -91.72 149.4 21.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 0.0 110.309 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.47 10.09 16.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -90.83 -44.85 9.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.2 pt -62.0 -35.86 70.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.542 ' HB3' ' CD2' ' A' ' 89' ' ' TYR . 16.2 mt -69.57 112.16 5.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.57 ' CE1' ' HA2' ' A' ' 105' ' ' GLY . 0.5 OUTLIER -124.45 144.76 49.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.999 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 4.9 tp -129.58 117.18 18.53 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 107.97 2.61 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.506 1.793 . . . . 0.0 110.979 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.418 ' HA ' ' HD3' ' A' ' 131' ' ' PRO . 81.4 mt -88.21 133.19 37.4 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 130' ' ' LEU . 18.4 Cg_endo -74.99 134.01 17.31 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.507 1.793 . . . . 0.0 111.001 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 4.3 p -116.76 -4.78 11.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.257 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 134' ' ' SER . 0.1 OUTLIER -168.09 130.25 1.47 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.158 . . . . 0.0 109.972 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 133' ' ' SER . 2.0 m -39.41 158.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.982 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -157.74 147.33 20.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.589 ' C ' ' CD1' ' A' ' 136' ' ' LEU . 0.0 OUTLIER -56.25 -179.44 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.258 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.44 ' N ' HD22 ' A' ' 136' ' ' LEU . 3.7 mt-10 -38.99 -86.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -153.29 -68.17 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.563 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 11.2 p-80 -166.79 151.99 7.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.621 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -60.84 163.2 5.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.608 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -125.82 176.57 6.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.587 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 33.2 p-80 -150.07 172.12 15.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.572 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.555 -179.979 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 CA-C-O 120.556 0.217 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -136.18 137.39 40.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 0.0 109.268 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -98.19 111.2 23.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 111.019 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 45.08 86.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.88 77.15 69.22 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 174.29 13.05 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.482 1.78 . . . . 0.0 110.975 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.412 ' CD ' ' HB2' ' A' ' 129' ' ' PRO . 0.1 OUTLIER -144.71 160.77 40.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.36 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.473 ' CD1' ' HB ' ' A' ' 132' ' ' VAL . 4.1 mt -121.94 141.46 51.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.2 mt -93.68 112.24 24.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.351 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.449 ' CB ' ' O ' ' A' ' 128' ' ' LEU . 36.5 t80 -86.58 148.26 25.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 110.995 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 15' ' ' GLY . 52.4 t -133.1 77.63 1.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 108.3 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 13' ' ' ASN . 10.9 t -38.18 -37.48 0.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.995 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.43 ' C ' ' O ' ' A' ' 12' ' ' SER . 7.4 t30 -38.33 -43.41 0.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -131.98 -41.74 0.19 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.481 1.113 . . . . 0.0 110.995 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 11' ' ' CYS . . . 101.5 55.47 0.9 Allowed Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.571 ' CD2' ' HG2' ' A' ' 30' ' ' ARG . 12.4 m80 -130.56 167.21 19.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 0.0 109.618 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -111.82 141.85 44.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 111.008 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.5 tp -79.1 120.47 23.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.456 ' HB3' ' CG2' ' A' ' 37' ' ' ILE . 4.5 ptm180 -121.53 155.21 35.49 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.156 . . . . 0.0 110.308 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.611 ' O ' ' CE1' ' A' ' 36' ' ' HIS . 25.3 mt -123.89 128.07 74.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.478 HD11 ' CG2' ' A' ' 25' ' ' THR . 18.6 mt -97.28 157.5 34.79 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.412 ' HB3' ' CG2' ' A' ' 56' ' ' THR . 18.3 Cg_endo -74.97 0.76 8.5 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.54 1.811 . . . . 0.0 110.969 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -100.96 10.12 41.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.58 45.55 44.96 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.429 1.081 . . . . 0.0 110.962 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.478 ' CG2' HD11 ' A' ' 21' ' ' LEU . 2.7 m -126.61 147.62 49.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 0.765 . . . . 0.0 110.426 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.7 t -135.25 121.45 32.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -145.37 162.42 37.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -88.89 145.7 18.81 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.484 1.115 . . . . 0.0 110.974 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.432 HG23 ' CG2' ' A' ' 37' ' ' ILE . 3.8 t -148.27 142.65 26.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 0.741 . . . . 0.0 110.378 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.571 ' HG2' ' CD2' ' A' ' 16' ' ' HIS . 3.9 ptt180 -115.82 44.53 1.89 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -134.3 90.28 2.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.7 -38.43 1.43 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.321 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.43 -33.54 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.988 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -43.64 133.01 4.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -106.56 56.01 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 110.314 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.732 ' HE2' HG22 ' A' ' 56' ' ' THR . 1.7 t-80 -164.49 -43.5 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.595 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.456 ' CG2' ' HB3' ' A' ' 19' ' ' ARG . 50.0 pt -41.53 -28.92 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.435 ' N ' ' C ' ' A' ' 36' ' ' HIS . 58.8 mt-30 -62.07 92.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 110.294 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 72.1 mt -104.61 147.19 27.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.462 ' HB2' ' CG2' ' A' ' 54' ' ' THR . 0.0 OUTLIER -105.53 116.86 32.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 110.243 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.77 136.05 33.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.6 m -133.82 161.01 35.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 110.008 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -119.13 126.23 51.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 109.337 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.446 ' HG2' ' OG ' ' A' ' 45' ' ' SER . 0.6 OUTLIER -108.38 -45.8 3.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.278 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.446 ' OG ' ' HG2' ' A' ' 44' ' ' GLU . 0.9 OUTLIER -127.64 166.33 18.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.008 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.3 p -60.85 122.91 12.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.8 7.86 76.07 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.521 1.138 . . . . 0.0 111.032 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -114.82 134.62 54.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 0.774 . . . . 0.0 110.317 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 24.9 m -132.11 159.45 43.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -127.51 131.79 50.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.962 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.7 mt -115.54 113.54 43.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.452 ' HD3' ' CE1' ' A' ' 59' ' ' TYR . 16.6 ttpt -130.72 151.1 51.53 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.49 136.24 34.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.019 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.462 ' CG2' ' HB2' ' A' ' 40' ' ' GLN . 45.8 p -97.31 8.42 44.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.406 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.436 ' HB3' ' CE1' ' A' ' 36' ' ' HIS . 23.8 tp10 -101.4 -69.19 0.79 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.133 . . . . 0.0 110.338 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.732 HG22 ' HE2' ' A' ' 36' ' ' HIS . 80.4 p -84.29 -50.15 8.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.369 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 114.5 43.28 0.77 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.449 1.093 . . . . 0.0 110.979 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -116.74 137.76 51.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 0.788 . . . . 0.0 110.268 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.452 ' CE1' ' HD3' ' A' ' 52' ' ' LYS . 97.6 m-85 -84.67 142.3 29.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 111.01 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.405 ' HB2' ' CD1' ' A' ' 20' ' ' ILE . 1.3 tp -82.73 117.64 22.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -139.11 152.55 47.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 109.332 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 45.3 ttm -107.98 116.13 31.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 111.029 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.571 ' CG ' ' CE2' ' A' ' 69' ' ' TYR . 1.7 m-20 -69.39 -172.64 0.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 67.4 p -76.84 -20.45 56.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.377 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.402 ' HB3' ' CD2' ' A' ' 67' ' ' LEU . 61.7 m-20 -67.72 -12.22 60.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.95 -10.11 75.02 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.437 ' N ' HD13 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -87.19 168.38 13.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 0.777 . . . . 0.0 109.322 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.0 mt -103.22 144.71 30.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.571 ' CE2' ' CG ' ' A' ' 63' ' ' ASP . 4.2 p90 -145.03 156.04 43.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 111.045 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -78.73 111.73 3.31 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.511 1.132 . . . . 0.0 110.978 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.02 117.98 25.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 0.756 . . . . 0.0 109.967 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -54.53 -57.71 10.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.9 p -100.96 157.02 34.45 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.363 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 116.56 4.62 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.462 1.769 . . . . 0.0 110.983 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 -126.78 157.42 39.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -47.77 -28.76 2.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.295 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.47 ' O ' ' CE1' ' A' ' 80' ' ' PHE . 39.8 mt-10 -63.89 -31.37 72.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.339 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 57.5 m -73.93 -16.97 61.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 108.321 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.7 tp -89.17 124.2 34.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.345 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.47 ' CE1' ' O ' ' A' ' 77' ' ' GLU . 17.0 m-85 -124.11 165.4 17.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 110.992 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.6 125.74 50.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.82 147.57 31.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.54 165.02 34.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.69 115.11 27.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.489 ' HG3' ' CG2' ' A' ' 91' ' ' THR . 1.2 mt-10 -104.67 145.21 30.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -52.0 -179.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 62.6 m-20 60.74 15.5 5.9 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.536 1.147 . . . . 0.0 109.271 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER 60.66 60.24 1.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.591 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -141.87 158.29 43.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -122.95 153.03 40.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.333 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.489 ' CG2' ' HG3' ' A' ' 85' ' ' GLU . 21.0 p -125.86 155.32 41.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.425 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -134.87 132.67 38.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 50.0 mt -130.02 138.12 54.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.2 t -67.75 138.21 56.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.437 1.086 . . . . 0.0 110.025 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.43 ' C ' ' N ' ' A' ' 97' ' ' HIS . 11.5 tttm -63.86 -74.71 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.544 ' HB3' ' CD2' ' A' ' 97' ' ' HIS . 4.9 mttt -40.9 -29.64 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.544 ' CD2' ' HB3' ' A' ' 96' ' ' LYS . 0.3 OUTLIER -122.71 57.74 1.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.62 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -91.52 -43.22 9.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -67.62 -16.56 64.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.328 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.565 ' HD2' ' CZ2' ' A' ' 102' ' ' TRP . 13.1 mttt -78.09 -7.15 56.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 49.31 64.23 1.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.163 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.565 ' CZ2' ' HD2' ' A' ' 100' ' ' LYS . 49.0 m0 -112.55 131.69 55.48 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -116.71 148.16 41.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 110.984 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.416 ' O ' ' CZ ' ' A' ' 127' ' ' PHE . 19.8 t -87.03 108.37 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.566 ' HA2' ' CE1' ' A' ' 127' ' ' PHE . . . -146.2 152.1 24.25 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.503 1.127 . . . . 0.0 110.958 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 10.3 mt -118.29 159.6 23.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 0.761 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.99 -177.43 4.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -67.75 -25.46 65.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 17.8 t30 -84.73 9.51 13.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 109.274 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 63.02 41.18 99.93 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.475 1.11 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.96 143.8 44.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.433 0.725 . . . . 0.0 109.97 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 6.9 p -65.91 134.47 53.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 108.277 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 114' ' ' ARG . 1.4 ttmm -90.89 129.78 36.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.466 ' CB ' ' HG3' ' A' ' 117' ' ' ARG . 0.0 OUTLIER -38.27 124.91 1.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.306 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.58 ' N ' ' CD ' ' A' ' 116' ' ' PRO . . . -54.4 -46.34 72.91 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.482 1.114 . . . . 0.0 110.964 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.58 ' CD ' ' N ' ' A' ' 115' ' ' GLY . 18.1 Cg_endo -75.02 5.44 3.99 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.528 1.804 . . . . 0.0 110.988 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.466 ' HG3' ' CB ' ' A' ' 114' ' ' ARG . 3.4 mmm180 -116.04 39.8 2.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.274 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 19.3 p -125.48 166.54 16.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 110.422 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -175.06 177.12 2.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.613 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -86.21 136.15 33.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 0.0 110.962 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 111.44 -11.04 28.41 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -86.48 154.83 20.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.779 . . . . 0.0 110.305 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 5.4 tppt? -93.81 14.1 20.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.43 ' HB3' ' ND2' ' A' ' 13' ' ' ASN . . . -95.73 -52.05 4.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 2.7 pt -59.54 -33.72 52.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.342 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 96.3 mt -64.45 100.9 0.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.566 ' CE1' ' HA2' ' A' ' 105' ' ' GLY . 1.1 m-30 -112.72 132.99 54.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.976 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.449 ' O ' ' CB ' ' A' ' 10' ' ' TYR . 0.8 OUTLIER -114.1 118.91 41.61 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . 0.412 ' HB2' ' CD ' ' A' ' 7' ' ' LYS . 18.2 Cg_endo -75.05 114.18 3.96 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.512 1.796 . . . . 0.0 110.991 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 80.5 mt -102.67 131.67 22.1 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.334 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 148.21 35.21 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.507 1.793 . . . . 0.0 111.033 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.473 ' HB ' ' CD1' ' A' ' 8' ' ' LEU . 9.8 p -143.64 163.34 15.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.3 t 63.73 179.95 0.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.011 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.68 162.83 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.956 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -136.24 127.64 28.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 109.332 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.23 174.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.097 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 68.38 76.83 0.25 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -160.96 151.84 18.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.648 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 64.22 168.28 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.541 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -101.64 136.79 40.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.577 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -100.42 -173.04 2.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.564 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 1.6 m170 59.89 113.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.563 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 3.3 m170 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.632 179.951 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 ttt . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.534 0.207 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -140.54 117.98 11.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 32.5 p90 -144.33 118.62 9.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -122.64 47.81 1.88 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -111.49 152.13 43.75 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 134.14 17.4 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.509 1.794 . . . . 0.0 110.996 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.5 ' CG ' ' O ' ' A' ' 130' ' ' LEU . 0.0 OUTLIER -144.7 168.18 20.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.556 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -106.65 147.96 28.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 73.6 mt -92.94 104.33 16.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -86.19 109.01 18.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 15' ' ' GLY . 43.1 t -87.6 79.95 8.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 0.0 108.307 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 11' ' ' CYS . 3.5 p -36.55 -34.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.002 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 11' ' ' CYS . 28.7 t30 -42.61 -53.01 4.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -120.92 -35.93 0.8 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.47 1.106 . . . . 0.0 111.014 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 11' ' ' CYS . . . 95.49 78.52 1.42 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.452 ' ND1' ' C ' ' A' ' 15' ' ' GLY . 52.4 m80 -155.81 168.79 26.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.75 . . . . 0.0 109.609 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.556 ' CD1' ' HB3' ' A' ' 8' ' ' LEU . 18.0 m-85 -111.43 143.79 41.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.411 HD22 ' CD1' ' A' ' 60' ' ' LEU . 10.5 tp -76.83 116.07 17.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.452 ' HB2' ' CG2' ' A' ' 37' ' ' ILE . 25.3 ttp180 -109.3 144.21 37.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.329 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.414 ' CD1' HD21 ' A' ' 39' ' ' LEU . 11.5 mt -124.81 104.38 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.46 HD13 ' CG2' ' A' ' 25' ' ' THR . 18.6 mt -76.92 157.03 82.14 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.471 ' CB ' HG22 ' A' ' 56' ' ' THR . 18.3 Cg_endo -75.01 -1.78 11.68 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.505 1.792 . . . . 0.0 111.0 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.93 7.8 44.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.94 37.7 37.83 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.542 1.152 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.46 ' CG2' HD13 ' A' ' 21' ' ' LEU . 3.5 m -117.01 146.36 43.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 0.789 . . . . 0.0 110.359 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.7 t -135.13 115.21 18.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -148.25 160.82 42.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -78.07 151.07 36.47 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.529 1.143 . . . . 0.0 111.004 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.536 ' CG2' ' CG2' ' A' ' 37' ' ' ILE . 7.0 t -156.94 116.04 3.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 0.77 . . . . 0.0 110.409 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.9 ttt-85 -92.81 50.12 1.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -132.55 92.85 3.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.22 -22.53 6.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.133 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.18 -30.82 62.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.005 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.452 ' OD2' ' NH1' ' A' ' 19' ' ' ARG . 0.4 OUTLIER -65.85 128.44 36.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -98.12 9.67 42.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.427 1.08 . . . . 0.0 110.321 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.561 ' CD2' ' HG2' ' A' ' 55' ' ' GLU . 5.9 m80 -96.66 -29.81 13.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.573 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.536 ' CG2' ' CG2' ' A' ' 29' ' ' THR . 17.6 pt -64.8 -21.49 29.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -60.66 81.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 37' ' ' ILE . 17.2 mt -86.87 146.99 25.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.345 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.47 ' HB2' ' CG2' ' A' ' 54' ' ' THR . 0.0 OUTLIER -105.63 115.88 30.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 110.342 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.44 136.45 33.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.9 m -136.25 155.85 49.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.979 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -119.91 128.71 53.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.447 ' CD ' ' N ' ' A' ' 44' ' ' GLU . 3.2 mm-40 -109.05 -54.34 2.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 110.319 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -129.3 165.8 20.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 110.01 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 77.2 t -61.98 115.13 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.47 16.22 59.05 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.547 1.154 . . . . 0.0 111.01 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -128.56 136.86 51.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 0.738 . . . . 0.0 110.284 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.3 m -145.01 150.92 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.575 ' CE1' ' HB2' ' A' ' 79' ' ' LEU . 1.6 m-85 -117.3 144.49 44.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.5 mt -126.2 107.93 18.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.551 ' HG3' ' CD1' ' A' ' 59' ' ' TYR . 17.6 tttt -129.33 146.72 51.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.424 ' HA ' ' CD2' ' A' ' 39' ' ' LEU . 0.4 OUTLIER -80.77 137.39 36.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.026 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.47 ' CG2' ' HB2' ' A' ' 40' ' ' GLN . 63.8 p -90.82 -10.89 41.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.419 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.561 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 3.3 tp10 -86.3 -76.28 0.35 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.088 . . . . 0.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.471 HG22 ' CB ' ' A' ' 22' ' ' PRO . 28.7 p -68.33 -53.28 25.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.43 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 108.82 45.3 1.05 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.49 1.119 . . . . 0.0 110.979 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -119.76 153.94 34.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 0.791 . . . . 0.0 110.289 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.551 ' CD1' ' HG3' ' A' ' 52' ' ' LYS . 58.9 m-85 -99.05 135.97 39.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 111.007 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.411 ' CD1' HD22 ' A' ' 18' ' ' LEU . 14.0 tp -76.96 119.97 21.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -140.31 151.36 44.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 31.6 ttm -106.38 116.14 31.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.06 -165.57 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 12.6 p -86.01 -7.52 58.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.418 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.461 ' HB3' ' CD1' ' A' ' 67' ' ' LEU . 0.8 OUTLIER -84.62 -6.02 59.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.284 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.443 ' HA3' ' CD ' ' A' ' 116' ' ' PRO . . . 82.29 1.78 90.47 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' A' ' 65' ' ' ASP . 4.4 mp -91.39 168.02 11.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 0.756 . . . . 0.0 109.347 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.4 mt -106.96 132.45 52.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.565 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 2.2 p90 -142.85 150.98 40.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 111.033 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -82.69 124.9 6.7 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.506 1.129 . . . . 0.0 110.96 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.6 t -91.24 140.16 30.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 0.777 . . . . 0.0 109.958 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -63.2 -38.2 90.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.262 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.3 p -122.87 160.48 49.0 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.415 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 114.71 4.09 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.497 1.788 . . . . 0.0 111.024 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -125.66 157.36 37.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.432 1.083 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -49.39 -32.45 11.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.414 ' CG ' ' HD2' ' A' ' 96' ' ' LYS . 41.5 mt-10 -62.97 -22.02 66.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 66.6 m -83.23 -22.57 33.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.418 1.074 . . . . 0.0 108.288 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.575 ' HB2' ' CE1' ' A' ' 50' ' ' TYR . 49.1 tp -85.79 127.01 34.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -120.68 166.1 14.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 111.028 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -102.74 122.91 45.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.432 ' HG2' ' N ' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -109.0 146.48 33.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 110.308 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.432 ' N ' ' HG2' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -151.74 149.79 29.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.258 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.416 HD22 ' N ' ' A' ' 85' ' ' GLU . 1.3 tm? -92.06 107.34 19.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.444 ' OE2' ' CD2' ' A' ' 126' ' ' LEU . 2.6 pp20? -109.16 159.72 16.67 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' A' ' 85' ' ' GLU . 21.0 mt-10 -50.56 -178.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.288 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 73.81 3.4 4.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.256 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 5.3 t60 58.57 52.47 6.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.599 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -144.74 161.26 39.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -115.93 153.76 31.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -125.27 158.94 32.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.429 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -139.57 132.84 29.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.969 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 39.3 mt -135.8 138.28 47.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.3 t -59.08 143.34 48.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.037 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.434 ' C ' ' N ' ' A' ' 97' ' ' HIS . 1.4 tttm -78.89 -56.16 4.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.414 ' HD2' ' CG ' ' A' ' 77' ' ' GLU . 0.9 OUTLIER -43.54 -27.43 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.668 ' CE1' ' CZ3' ' A' ' 102' ' ' TRP . 30.8 m-70 -103.58 -93.13 0.34 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.587 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 69.17 -62.68 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 97' ' ' HIS . 7.7 mt-10 -62.85 -13.15 30.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.334 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.551 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 8.5 mttm -90.23 -3.05 58.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 43.86 64.95 1.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.668 ' CZ3' ' CE1' ' A' ' 97' ' ' HIS . 45.3 m0 -111.9 131.63 55.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 108.042 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.513 ' CG ' HG22 ' A' ' 125' ' ' ILE . 94.9 m-85 -114.08 148.88 36.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 0.0 111.014 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.437 ' O ' ' O ' ' A' ' 105' ' ' GLY . 77.6 t -72.45 -91.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.437 ' O ' ' O ' ' A' ' 104' ' ' VAL . . . 50.02 175.28 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.447 1.092 . . . . 0.0 111.007 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.471 ' CD2' ' HA ' ' A' ' 112' ' ' CYS . 6.4 mt -138.32 131.61 30.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.772 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 111' ' ' SER . 2.3 mtmp? -52.93 -174.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.66 -9.23 52.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -88.99 15.05 9.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 67.36 25.69 73.63 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.472 ' O ' ' N ' ' A' ' 107' ' ' LYS . 0.6 OUTLIER -119.46 166.81 12.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 0.0 110.021 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . 0.471 ' HA ' ' CD2' ' A' ' 106' ' ' LEU . 19.5 p -74.2 135.35 42.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 108.308 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.459 ' HD3' ' CG2' ' A' ' 118' ' ' THR . 1.6 ttmp? -90.25 117.16 28.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 113' ' ' LYS . 2.2 mpp_? -36.77 149.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.312 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.524 ' N ' ' CD ' ' A' ' 116' ' ' PRO . . . -70.13 -49.71 32.14 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.496 1.123 . . . . 0.0 110.946 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 115' ' ' GLY . 18.1 Cg_endo -75.05 4.32 4.87 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.57 1.826 . . . . 0.0 110.948 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 4.1 mmt-85 -112.78 23.48 13.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.313 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.497 ' OG1' ' O ' ' A' ' 115' ' ' GLY . 1.7 p -131.07 152.78 50.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.404 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -151.91 -169.84 3.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.649 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -91.13 123.07 34.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 127.51 -6.92 7.06 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.522 1.139 . . . . 0.0 111.024 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -91.1 157.62 17.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 0.74 . . . . 0.0 110.341 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.408 ' HG2' ' N ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -95.95 13.54 26.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -91.4 -55.62 3.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.513 HG22 ' CG ' ' A' ' 103' ' ' PHE . 3.6 pt -48.81 -31.37 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.444 ' CD2' ' OE2' ' A' ' 85' ' ' GLU . 14.1 mt -73.04 131.02 41.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -138.93 150.71 46.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 5.9 tp -133.71 115.25 13.38 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 124.56 8.73 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.438 1.757 . . . . 0.0 111.003 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.5 ' O ' ' CG ' ' A' ' 7' ' ' LYS . 4.0 mm? -99.12 142.51 24.74 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 116.65 4.64 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.476 1.777 . . . . 0.0 110.965 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 2.5 p -114.62 -1.36 9.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.3 t -164.51 79.69 0.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.009 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.5 179.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.125 . . . . 0.0 110.014 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -134.33 121.36 21.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -112.29 -31.62 6.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -59.82 105.24 0.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 110.296 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -166.49 173.77 9.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.087 . . . . 0.0 109.593 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 76.04 -66.11 0.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.631 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 11.1 t-160 -68.99 78.8 0.32 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 109.648 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . 0.449 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 17.5 t60 -179.52 65.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.577 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -111.07 169.98 8.41 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.503 1.127 . . . . 0.0 109.578 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.601 179.987 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.533 0.206 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -104.35 118.0 35.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 109.338 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -94.11 90.34 6.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.5 90.65 8.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.34 141.91 12.66 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 142.34 27.8 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.49 1.784 . . . . 0.0 111.032 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -144.97 158.43 43.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.504 ' HB3' ' CG ' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -103.17 143.85 32.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.558 ' HB3' ' CD2' ' A' ' 127' ' ' PHE . 2.1 mp -91.5 104.44 16.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.475 ' HB2' ' CD2' ' A' ' 130' ' ' LEU . 20.8 t80 -74.62 151.73 39.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.975 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 12' ' ' SER . 39.3 t -135.51 70.13 1.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 108.31 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.46 ' C ' ' O ' ' A' ' 11' ' ' CYS . 17.2 t -34.81 -36.5 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.985 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.497 ' O ' ' CG ' ' A' ' 108' ' ' LYS . 29.4 t30 -41.8 -48.24 4.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.135 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 11' ' ' CYS . . . -125.77 -38.3 0.48 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.515 1.134 . . . . 0.0 111.017 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.549 ' O ' ' CG ' ' A' ' 16' ' ' HIS . . . 97.04 79.14 1.45 Allowed Glycine 0 CA--C 1.529 0.931 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.549 ' CG ' ' O ' ' A' ' 15' ' ' GLY . 66.2 m80 -162.7 153.64 17.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 0.749 . . . . 0.0 109.628 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.504 ' CG ' ' HB3' ' A' ' 8' ' ' LEU . 23.2 m-30 -101.15 142.54 32.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.147 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.479 ' CD1' HD22 ' A' ' 106' ' ' LEU . 12.3 tp -78.71 114.79 17.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.458 ' CZ ' ' HB ' ' A' ' 29' ' ' THR . 1.7 ptp180 -112.83 154.26 26.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.324 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 47.2 mt -124.43 117.04 49.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.269 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 22.4 mt -89.48 157.42 47.17 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 0.26 9.13 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.538 1.809 . . . . 0.0 111.008 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.37 11.46 39.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 70.27 47.45 44.11 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.452 1.095 . . . . 0.0 110.972 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 m -125.78 142.54 51.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 0.0 110.4 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.4 t -135.38 115.92 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.66 162.15 40.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -80.22 150.32 31.82 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.548 1.155 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.458 ' HB ' ' CZ ' ' A' ' 19' ' ' ARG . 2.6 t -160.8 136.12 7.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 0.784 . . . . 0.0 110.343 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.15 41.14 3.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 110.269 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 33' ' ' SER . 24.6 t0 -93.44 -6.26 47.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.35 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 31' ' ' ASP . 13.0 mtm180 36.8 32.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 31' ' ' ASP . 0.3 OUTLIER -129.24 -44.12 1.28 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.961 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.24 123.64 3.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -82.79 53.38 2.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 110.287 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.439 ' C ' ' N ' ' A' ' 38' ' ' GLN . 38.3 m80 -145.65 -46.9 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.618 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 39' ' ' LEU . 33.3 pt -41.63 -28.56 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.338 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.439 ' N ' ' C ' ' A' ' 36' ' ' HIS . 82.4 mt-30 -59.1 82.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.285 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 37' ' ' ILE . 18.2 mt -95.39 146.33 24.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -106.85 114.65 28.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 110.258 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -88.45 136.06 33.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.71 161.07 36.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.984 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -123.42 126.16 46.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.567 1.167 . . . . 0.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.433 ' HG2' ' OG ' ' A' ' 45' ' ' SER . 0.4 OUTLIER -110.38 -42.98 3.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 0.0 110.287 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.433 ' OG ' ' HG2' ' A' ' 44' ' ' GLU . 0.9 OUTLIER -128.54 165.9 19.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.057 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 11.0 p -66.14 119.14 10.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.63 2.15 89.98 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.459 1.1 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.469 ' HG2' ' CD1' ' A' ' 81' ' ' LEU . 32.9 mt-10 -114.29 138.42 50.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 0.758 . . . . 0.0 110.314 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.0 m -134.81 155.65 38.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.499 ' CE2' HD11 ' A' ' 79' ' ' LEU . 4.8 m-85 -125.8 131.62 52.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.2 mt -114.69 119.56 61.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.338 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.402 ' HE3' ' CE1' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -135.57 144.88 46.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.4 135.23 36.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.009 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.1 p -90.49 -13.69 34.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.398 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -80.36 -69.54 0.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.27 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 56.0 p -79.35 -62.01 1.83 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.398 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 120.3 47.7 0.33 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.423 1.077 . . . . 0.0 111.03 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -122.93 137.83 54.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 0.783 . . . . 0.0 110.279 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.402 ' CE1' ' HE3' ' A' ' 52' ' ' LYS . 90.8 m-85 -84.5 139.8 31.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.8 tp -77.32 118.77 20.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -140.55 155.49 46.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 40.3 ttm -113.2 116.11 29.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.22 -164.62 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 69.8 p -85.73 -20.5 29.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.409 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.498 ' CB ' ' CD1' ' A' ' 67' ' ' LEU . 6.1 m-20 -69.9 -8.56 49.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 84.55 -0.95 89.2 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.489 1.118 . . . . 0.0 110.963 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.498 ' CD1' ' CB ' ' A' ' 65' ' ' ASP . 4.1 mp -87.66 173.51 8.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 0.776 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.0 mt -110.93 137.67 48.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.56 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 2.1 p90 -149.29 163.13 38.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -94.12 123.91 7.67 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.554 1.159 . . . . 0.0 111.025 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 10.4 t -86.21 140.11 30.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 0.774 . . . . 0.0 109.989 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.26 -40.0 80.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.266 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.1 p -126.65 164.5 34.19 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.419 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 103.5 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.557 1.819 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -113.46 157.74 21.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.69 -24.24 2.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.303 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -67.33 -16.08 64.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 110.304 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 73.8 m -89.62 -14.27 35.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 108.305 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.499 HD11 ' CE2' ' A' ' 50' ' ' TYR . 3.7 tp -86.7 126.71 34.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -126.8 165.55 19.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.424 1.078 . . . . 0.0 111.021 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.469 ' CD1' ' HG2' ' A' ' 48' ' ' GLU . 0.7 OUTLIER -103.4 124.25 48.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.441 ' OE2' ' N ' ' A' ' 83' ' ' ARG . 2.8 tm-20 -108.7 150.27 27.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.293 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.441 ' N ' ' OE2' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -153.95 150.0 27.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.1 tt -91.9 128.15 37.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -97.79 158.36 15.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -82.27 50.58 1.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 110.285 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -159.95 27.45 0.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 22.5 t-160 52.42 48.61 22.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.549 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.503 ' CG ' ' HB3' ' A' ' 126' ' ' LEU . 2.2 m-85 -144.28 143.15 30.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -111.22 150.77 29.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.248 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 34.4 p -127.44 164.64 21.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.405 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -144.82 133.38 22.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 111.015 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.48 HD12 ' CE2' ' A' ' 103' ' ' PHE . 59.9 mt -132.2 133.73 60.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.7 t -59.54 140.03 56.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.008 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.88 -68.48 0.38 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.551 ' HB3' ' CD2' ' A' ' 97' ' ' HIS . 0.0 OUTLIER -47.06 -28.95 1.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.553 ' CD2' ' N ' ' A' ' 97' ' ' HIS . 0.2 OUTLIER -121.99 53.61 1.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.563 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -92.93 -35.86 13.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.54 -10.29 59.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.273 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.506 ' HD2' ' CZ2' ' A' ' 102' ' ' TRP . 30.6 mttt -90.06 -5.34 56.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 51.77 64.68 1.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.506 ' CZ2' ' HD2' ' A' ' 100' ' ' LYS . 46.2 m0 -112.28 131.58 55.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 108.021 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.576 ' CD2' ' HB ' ' A' ' 125' ' ' ILE . 70.0 m-85 -114.13 148.84 36.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.484 ' O ' ' C ' ' A' ' 105' ' ' GLY . 37.9 t -72.59 -20.59 19.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.571 ' HA2' ' CE1' ' A' ' 127' ' ' PHE . . . -30.61 145.61 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.479 HD22 ' CD1' ' A' ' 18' ' ' LEU . 1.2 mt -107.02 160.34 15.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 0.765 . . . . 0.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 111' ' ' SER . 7.8 mmmt -63.96 -157.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.497 ' CG ' ' O ' ' A' ' 13' ' ' ASN . 0.6 OUTLIER -117.74 -6.26 11.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 14.8 m-20 -96.31 13.41 27.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 77.18 40.51 24.24 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.499 1.125 . . . . 0.0 111.03 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 107' ' ' LYS . 0.6 OUTLIER -137.83 162.62 33.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 0.778 . . . . 0.0 109.989 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 26.1 p -78.09 135.05 37.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 108.296 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 114' ' ' ARG . 0.4 OUTLIER -90.94 119.03 30.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -38.44 137.93 0.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.33 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.47 ' C ' ' H ' ' A' ' 117' ' ' ARG . . . -52.75 -56.32 18.82 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.495 1.122 . . . . 0.0 111.033 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.416 ' O ' ' HG2' ' A' ' 117' ' ' ARG . 18.1 Cg_endo -75.0 38.13 0.51 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.496 1.787 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.47 ' H ' ' C ' ' A' ' 115' ' ' GLY . 5.1 mtm180 -144.65 18.01 1.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.297 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.1 p -117.04 161.35 19.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.371 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -166.07 -170.97 1.86 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.617 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -92.49 136.88 32.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 111.023 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 113.46 -5.26 24.8 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -97.81 152.06 19.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 0.772 . . . . 0.0 110.292 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 8.2 tppt? -90.16 5.29 47.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.254 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -83.86 -44.37 14.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.576 ' HB ' ' CD2' ' A' ' 103' ' ' PHE . 4.0 pt -64.21 -35.99 75.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.503 ' HB3' ' CG ' ' A' ' 89' ' ' TYR . 73.8 mt -66.19 107.14 1.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.571 ' CE1' ' HA2' ' A' ' 105' ' ' GLY . 1.6 m-30 -118.64 130.54 55.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 111.002 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.501 ' O ' ' CD2' ' A' ' 130' ' ' LEU . 0.7 OUTLIER -114.07 118.75 41.9 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 120.89 6.27 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.55 1.816 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.501 ' CD2' ' O ' ' A' ' 128' ' ' LEU . 3.8 mm? -101.91 142.77 25.26 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 130' ' ' LEU . 18.2 Cg_endo -75.07 139.52 24.21 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.48 1.779 . . . . 0.0 110.988 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.454 ' HB ' ' CD2' ' A' ' 8' ' ' LEU . 1.4 p -141.15 147.97 21.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 2.8 t 57.13 109.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.98 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 22.2 p -124.17 154.98 39.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.992 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -163.94 -43.33 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -105.79 -79.4 0.56 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 52.84 91.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.273 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -171.78 101.96 0.18 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.61 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -129.24 156.4 44.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.629 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 4.7 m80 -134.62 174.35 10.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.138 . . . . 0.0 109.591 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -143.63 163.16 34.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.592 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -81.42 172.46 13.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.58 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.592 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.526 0.203 . . . . 0.0 110.954 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -142.88 116.61 9.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -59.23 118.34 5.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -170.72 168.16 7.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 76.11 78.71 0.15 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -179.91 5.44 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.498 1.789 . . . . 0.0 111.046 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.36 161.38 39.77 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -120.59 137.06 54.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -91.14 110.32 21.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.287 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.492 ' CZ ' ' HA ' ' A' ' 12' ' ' SER . 12.7 t80 -85.14 127.3 34.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.991 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 13' ' ' ASN . 16.8 t -109.43 74.03 0.88 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 108.328 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.492 ' HA ' ' CZ ' ' A' ' 10' ' ' TYR . 45.9 t -38.11 -31.12 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.105 . . . . 0.0 110.021 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 11' ' ' CYS . 54.9 t30 -40.71 -65.87 0.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.142 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -115.1 -18.81 6.15 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.534 1.146 . . . . 0.0 110.982 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 84.66 70.75 1.33 Allowed Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 43.6 m80 -148.61 152.69 37.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 0.753 . . . . 0.0 109.578 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -100.55 141.96 32.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 111.02 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.462 ' CD1' ' CD2' ' A' ' 106' ' ' LEU . 10.0 tp -78.48 118.23 20.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.459 ' HB3' ' CG2' ' A' ' 37' ' ' ILE . 3.3 ptm180 -120.43 153.94 35.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 34.6 mt -124.63 112.96 34.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.337 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.474 HD11 ' CG2' ' A' ' 25' ' ' THR . 26.9 mt -78.33 157.65 77.64 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -8.47 20.05 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.531 1.806 . . . . 0.0 111.005 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -90.53 8.17 35.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.86 43.04 29.04 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.517 1.136 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.474 ' CG2' HD11 ' A' ' 21' ' ' LEU . 4.8 m -123.0 147.71 46.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 0.771 . . . . 0.0 110.405 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.5 t -131.2 118.32 40.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.11 . . . . 0.0 109.328 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -147.6 160.39 42.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.94 155.41 33.16 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.451 1.094 . . . . 0.0 111.003 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.472 ' CG2' HG22 ' A' ' 37' ' ' ILE . 1.5 t -161.04 143.98 12.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.768 . . . . 0.0 110.374 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 21.0 ptt-85 -125.13 13.06 8.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.302 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 33' ' ' SER . 2.0 t0 -68.82 -21.45 64.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.461 ' O ' ' N ' ' A' ' 34' ' ' ASP . 5.3 mtm180 66.22 -61.2 0.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.576 1.173 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 31' ' ' ASP . 0.3 OUTLIER -38.5 -30.13 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.013 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 32' ' ' ARG . 0.2 OUTLIER -43.03 120.02 1.68 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.325 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -92.92 41.18 1.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.241 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.468 ' N ' ' ND1' ' A' ' 36' ' ' HIS . 0.0 OUTLIER -140.04 -46.73 0.44 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.611 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.472 HG22 ' CG2' ' A' ' 29' ' ' THR . 26.8 pt -39.46 -32.78 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.412 ' N ' ' C ' ' A' ' 36' ' ' HIS . 74.8 mt-30 -54.49 88.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.272 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 37' ' ' ILE . 51.3 mt -98.87 146.98 25.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.449 ' HB2' ' CG2' ' A' ' 54' ' ' THR . 0.0 OUTLIER -106.15 117.5 34.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.316 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.49 136.15 33.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.0 m -135.41 160.69 37.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.928 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -123.63 126.55 46.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -109.97 -46.44 3.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.242 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.58 165.45 18.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.137 . . . . 0.0 110.026 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.9 p -63.64 121.75 13.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.57 6.53 88.96 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.452 1.095 . . . . 0.0 111.026 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.415 ' OE1' ' CE ' ' A' ' 95' ' ' LYS . 13.6 mt-10 -116.0 142.91 46.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 0.765 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 25.6 m -141.31 155.06 20.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -123.89 134.27 53.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.3 mt -116.39 115.51 49.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.355 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.25 148.16 52.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.4 m -79.78 137.13 36.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.976 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.449 ' CG2' ' HB2' ' A' ' 40' ' ' GLN . 72.6 p -94.05 -3.31 51.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 110.374 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -103.82 -66.85 0.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.319 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.1 p -68.34 -64.53 0.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.397 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 114.66 50.71 0.48 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -134.4 141.0 46.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 0.742 . . . . 0.0 110.337 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -84.58 139.58 32.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 110.978 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.9 tp -77.25 118.33 19.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -139.44 150.44 45.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 34.8 ttm -104.68 119.8 39.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.37 173.43 9.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.14 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 77.3 p -68.24 -19.46 64.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.372 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.453 ' HB3' ' CD1' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -71.89 -6.73 43.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.26 7.42 86.75 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.453 ' CD1' ' HB3' ' A' ' 65' ' ' ASP . 5.3 mp -99.82 167.21 10.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 0.741 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.446 ' CD1' HG11 ' A' ' 104' ' ' VAL . 21.6 mt -104.69 142.2 35.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.569 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 1.6 p90 -153.15 150.35 28.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 111.03 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -81.78 123.29 6.0 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.453 1.095 . . . . 0.0 111.003 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.7 t -88.56 140.16 29.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 0.753 . . . . 0.0 109.998 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -63.86 -37.61 88.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 110.283 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.2 p -124.2 160.8 50.76 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.386 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 109.42 2.93 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.487 1.782 . . . . 0.0 111.027 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -120.24 157.12 29.79 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.454 1.096 . . . . 0.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.99 -29.81 3.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.095 . . . . 0.0 110.302 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -60.88 -26.6 67.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 39.7 m -81.23 -15.48 55.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 108.238 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.9 tp -86.51 118.82 26.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -117.71 165.03 14.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 111.02 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.42 ' CD2' ' O ' ' A' ' 93' ' ' ILE . 0.4 OUTLIER -103.71 124.99 49.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.08 142.52 39.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -146.77 166.41 26.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.403 HD23 ' N ' ' A' ' 85' ' ' GLU . 1.1 tm? -92.73 110.75 22.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.502 ' CG ' HG21 ' A' ' 91' ' ' THR . 15.1 mt-10 -107.45 144.12 34.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.276 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.507 ' O ' ' CB ' ' A' ' 87' ' ' ASN . 30.9 mt-10 -47.01 172.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.269 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.507 ' CB ' ' O ' ' A' ' 86' ' ' GLU . 14.9 t-20 82.53 -0.33 1.33 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 1.1 t60 70.47 39.91 1.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.592 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.532 ' CD1' ' HB2' ' A' ' 128' ' ' LEU . 9.3 m-85 -131.95 167.87 18.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -113.51 173.48 6.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.595 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 2.7 p -140.05 166.72 23.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.388 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.595 ' CD1' ' O ' ' A' ' 91' ' ' THR . 25.1 m-85 -147.2 133.12 19.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.497 HD11 ' CE1' ' A' ' 103' ' ' PHE . 54.5 mt -136.93 135.64 48.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.85 138.76 58.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.985 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.415 ' CE ' ' OE1' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -65.09 -67.97 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.521 ' HB3' ' CD2' ' A' ' 97' ' ' HIS . 10.7 tttt -50.53 -29.67 11.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.552 ' CD2' ' N ' ' A' ' 97' ' ' HIS . 0.2 OUTLIER -120.58 59.3 0.91 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.448 1.092 . . . . 0.0 109.582 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -102.03 -51.47 3.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.253 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -55.09 -22.54 16.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 110.286 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.522 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 2.4 mtpt -78.18 0.01 26.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 44.91 64.7 1.29 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.522 ' CD1' ' O ' ' A' ' 100' ' ' LYS . 46.8 m0 -111.87 131.81 55.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 107.995 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.497 ' CE1' HD11 ' A' ' 93' ' ' ILE . 98.1 m-85 -114.27 144.45 43.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.446 HG11 ' CD1' ' A' ' 68' ' ' LEU . 67.7 t -62.5 -84.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 104' ' ' VAL . . . 51.1 173.04 0.01 OUTLIER Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.517 1.135 . . . . 0.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.462 ' CD2' ' CD1' ' A' ' 18' ' ' LEU . 8.9 mt -138.6 132.42 31.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 0.788 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 111' ' ' SER . 15.9 mttt -54.64 -170.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 22.1 mtmt -97.09 -8.57 29.94 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -89.98 13.38 14.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.342 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 69.61 39.8 78.05 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.483 1.115 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 107' ' ' LYS . 0.6 OUTLIER -136.44 165.29 26.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 0.782 . . . . 0.0 110.003 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . 0.445 ' HA ' ' CD2' ' A' ' 106' ' ' LEU . 29.8 p -71.17 135.55 47.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 108.331 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 114' ' ' ARG . 4.0 tttp -89.89 124.36 34.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.443 ' CB ' ' HG3' ' A' ' 117' ' ' ARG . 0.0 OUTLIER -36.13 152.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.521 ' N ' ' CD ' ' A' ' 116' ' ' PRO . . . -74.9 -49.74 9.7 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.455 1.097 . . . . 0.0 111.039 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.521 ' CD ' ' N ' ' A' ' 115' ' ' GLY . 18.2 Cg_endo -75.03 5.06 4.22 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.563 1.823 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.443 ' HG3' ' CB ' ' A' ' 114' ' ' ARG . 8.2 mmt180 -115.46 39.76 2.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.288 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' A' ' 115' ' ' GLY . 16.6 p -125.46 168.47 13.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.412 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -147.52 158.43 43.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.603 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -90.47 114.44 26.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 111.049 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 125.3 -0.38 8.14 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.509 1.131 . . . . 0.0 111.011 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -86.57 154.66 20.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 0.782 . . . . 0.0 110.325 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.444 ' HA ' ' CD1' ' A' ' 126' ' ' LEU . 2.7 ttmp? -80.61 -4.97 56.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.52 -64.06 1.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.595 1.185 . . . . 0.0 109.285 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.487 HG22 ' CG ' ' A' ' 103' ' ' PHE . 6.9 pt -45.31 -26.74 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.24 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.475 ' HB3' ' CB ' ' A' ' 89' ' ' TYR . 48.6 mt -70.86 128.16 35.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -133.75 142.91 48.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.532 ' HB2' ' CD1' ' A' ' 89' ' ' TYR . 0.1 OUTLIER -132.81 115.93 14.58 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 117.45 4.91 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.464 1.771 . . . . 0.0 111.022 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 58.1 mt -89.64 141.87 28.89 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 119.48 5.66 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.558 1.82 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 1.2 p -125.42 144.96 33.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 134' ' ' SER . 3.3 t 77.98 -69.44 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.013 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 133' ' ' SER . 0.3 OUTLIER 54.16 104.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.978 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 136' ' ' LEU . 0.8 OUTLIER -154.38 135.99 14.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.403 ' O ' ' O ' ' A' ' 135' ' ' ASP . 0.1 OUTLIER 45.36 -169.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.09 . . . . 0.0 109.32 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.403 ' CB ' ' O ' ' A' ' 136' ' ' LEU . 0.9 OUTLIER 167.57 97.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 110.277 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -52.15 161.77 0.57 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.61 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -173.45 158.16 3.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.605 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -138.57 147.64 43.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.628 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 37.1 p-80 -78.13 -62.69 1.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.603 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 41.5 t-80 59.82 167.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.61 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.108 . . . . 0.0 109.546 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.534 0.207 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 26.9 t30 -144.91 -58.53 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 52.54 97.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.97 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.5 -68.77 0.68 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.409 ' N ' ' HD3' ' A' ' 6' ' ' PRO . 2.9 ttpt 56.25 64.46 4.97 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.409 ' HD3' ' N ' ' A' ' 5' ' ' LYS . 18.5 Cg_endo -74.92 147.29 34.1 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.452 1.764 . . . . 0.0 111.013 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -143.96 156.83 44.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 mt -108.84 141.12 41.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.549 ' HB3' ' CD2' ' A' ' 127' ' ' PHE . 28.9 mt -91.46 115.96 28.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.43 ' HB2' ' CD2' ' A' ' 130' ' ' LEU . 61.6 t80 -102.15 120.97 41.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.563 1.164 . . . . 0.0 111.005 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 13' ' ' ASN . 7.2 t -88.48 77.68 8.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 108.3 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.49 ' OG ' ' CG ' ' A' ' 123' ' ' LYS . 80.5 p -37.97 -30.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.957 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 11' ' ' CYS . 34.6 t30 -47.02 -47.98 22.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -123.79 -38.3 0.54 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.479 1.112 . . . . 0.0 111.042 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 11' ' ' CYS . . . 98.98 76.37 1.25 Allowed Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 70.2 m80 -151.34 156.96 41.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 0.0 109.625 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -103.25 143.28 32.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.977 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.453 HD21 ' CD1' ' A' ' 60' ' ' LEU . 15.9 tp -77.44 114.57 16.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.8 ttp180 -109.25 141.95 40.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 110.249 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 8.8 mt -123.67 115.65 45.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.437 HD13 ' CG2' ' A' ' 25' ' ' THR . 20.3 mt -90.34 157.51 44.79 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.468 ' CB ' HG23 ' A' ' 56' ' ' THR . 18.3 Cg_endo -74.98 -8.55 20.2 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.546 1.814 . . . . 0.0 110.983 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.66 7.5 33.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.43 40.64 32.46 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.498 1.124 . . . . 0.0 111.02 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.437 ' CG2' HD13 ' A' ' 21' ' ' LEU . 3.5 m -121.82 142.93 49.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 0.751 . . . . 0.0 110.429 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.472 ' CG2' ' O ' ' A' ' 68' ' ' LEU . 9.8 t -135.2 119.08 25.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -148.21 162.35 39.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.342 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -79.2 149.62 32.68 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.554 ' CG2' ' CG2' ' A' ' 37' ' ' ILE . 5.4 t -161.13 106.37 1.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.771 . . . . 0.0 110.446 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.8 41.92 1.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.343 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 33' ' ' SER . 2.1 t70 -95.42 -15.44 22.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 33' ' ' SER . 3.1 mtm105 66.4 -60.79 0.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 31' ' ' ASP . 0.4 OUTLIER -35.47 -38.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.53 144.25 3.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.09 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 70.5 mm-40 -107.47 -27.6 10.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 110.318 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 16.5 m80 -67.43 -14.65 63.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.577 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.554 ' CG2' ' CG2' ' A' ' 29' ' ' THR . 37.0 pt -73.61 -26.5 21.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.36 102.95 0.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.462 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 21.6 mt -114.82 146.92 40.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.475 ' HG2' ' CG2' ' A' ' 54' ' ' THR . 0.0 OUTLIER -105.36 114.95 29.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.304 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.39 136.24 33.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 50' ' ' TYR . 6.3 m -139.75 156.77 46.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 110.011 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -116.26 127.25 54.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -110.07 -47.55 3.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.317 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.405 ' OG ' ' OE1' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -120.16 166.02 14.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.948 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 49.9 t -66.45 119.71 12.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.15 7.92 88.09 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.51 1.132 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.405 ' OE1' ' OG ' ' A' ' 45' ' ' SER . 22.9 mt-10 -118.39 140.56 49.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 0.784 . . . . 0.0 110.28 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.3 m -134.43 163.3 37.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.429 ' N ' ' O ' ' A' ' 42' ' ' SER . 3.8 m-85 -131.15 131.93 44.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 111.037 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.2 mt -113.39 115.47 49.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.403 ' HG2' ' N ' ' A' ' 53' ' ' SER . 7.3 tttp -128.59 143.66 51.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.462 ' HA ' ' CD2' ' A' ' 39' ' ' LEU . 1.1 t -79.25 127.69 32.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.014 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.475 ' CG2' ' HG2' ' A' ' 40' ' ' GLN . 63.0 p -84.99 8.75 16.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 110.396 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -111.04 -67.84 0.97 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.286 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.468 HG23 ' CB ' ' A' ' 22' ' ' PRO . 26.6 p -74.66 -45.16 46.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.37 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 99.57 33.68 5.26 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -108.93 165.78 11.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 0.746 . . . . 0.0 110.326 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -108.15 138.22 44.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 111.023 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.453 ' CD1' HD21 ' A' ' 18' ' ' LEU . 7.6 tp -77.14 115.9 17.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -136.87 148.72 47.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 33.9 ttm -104.72 115.91 31.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 111.033 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.411 ' CG ' ' CE2' ' A' ' 69' ' ' TYR . 0.4 OUTLIER -68.53 -167.41 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 43.1 p -83.72 -10.19 58.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.418 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.482 ' CB ' HD11 ' A' ' 67' ' ' LEU . 34.9 m-20 -85.34 -4.59 59.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.462 ' HA3' ' CD ' ' A' ' 116' ' ' PRO . . . 81.17 2.09 90.31 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.48 1.112 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.482 HD11 ' CB ' ' A' ' 65' ' ' ASP . 3.9 mp -87.01 164.95 16.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 0.76 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.472 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 23.2 mt -106.74 126.08 51.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.551 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 2.8 p90 -136.89 163.11 31.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 111.013 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -92.54 127.68 9.07 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 111.029 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.6 t -92.49 140.58 29.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 0.795 . . . . 0.0 109.971 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -73.09 -34.22 66.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.2 p -121.22 158.44 53.02 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.405 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 113.14 3.72 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.461 1.769 . . . . 0.0 111.05 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -126.62 154.2 44.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.61 -25.73 1.25 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 110.245 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.509 ' O ' ' CE1' ' A' ' 80' ' ' PHE . 41.4 mt-10 -62.62 -30.39 71.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.097 . . . . 0.0 110.343 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 55.9 m -77.08 -16.86 59.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 108.329 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.4 tp -90.43 120.42 31.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.256 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.509 ' CE1' ' O ' ' A' ' 77' ' ' GLU . 20.8 m-85 -121.17 164.14 17.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 111.004 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.436 ' CD2' ' O ' ' A' ' 93' ' ' ILE . 0.1 OUTLIER -104.55 126.19 51.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -109.05 152.56 24.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 110.331 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.55 165.16 37.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.302 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.52 133.25 42.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.407 ' O ' ' O ' ' A' ' 86' ' ' GLU . 2.0 mt-10 -114.78 166.19 12.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.407 ' O ' ' O ' ' A' ' 85' ' ' GLU . 0.6 OUTLIER -45.77 172.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.306 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 66.36 -83.93 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 170.37 41.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.597 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.57 ' CD1' HD12 ' A' ' 128' ' ' LEU . 24.4 m-85 -112.47 164.21 13.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 111.019 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -121.51 162.05 21.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 109.276 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.97 167.12 20.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 110.434 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -147.49 132.86 18.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.472 ' CG2' ' HA ' ' A' ' 98' ' ' ALA . 54.8 mt -133.19 140.95 45.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.41 ' O ' ' N ' ' A' ' 98' ' ' ALA . 8.8 t -73.26 138.07 45.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.963 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -62.87 -76.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.548 ' HB3' ' CD2' ' A' ' 97' ' ' HIS . 7.3 mttt -43.05 -30.15 0.41 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.162 . . . . 0.0 109.264 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.548 ' CD2' ' HB3' ' A' ' 96' ' ' LYS . 0.3 OUTLIER -123.39 59.26 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.58 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.472 ' HA ' ' CG2' ' A' ' 93' ' ' ILE . . . -95.56 -55.63 2.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -54.91 -20.07 8.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 110.28 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -74.41 -3.69 32.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 48.7 65.44 1.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.351 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 43.9 m0 -111.3 138.27 47.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 108.011 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.529 ' CG ' HG21 ' A' ' 125' ' ' ILE . 86.0 m-85 -121.72 149.29 43.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 111.035 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.576 ' O ' ' CZ ' ' A' ' 127' ' ' PHE . 24.6 t -91.43 91.7 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -126.74 166.46 19.52 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.472 1.108 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.449 ' CD2' ' HA ' ' A' ' 112' ' ' CYS . 2.6 mt -128.61 133.66 48.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 0.778 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 111' ' ' SER . 0.7 OUTLIER -55.55 -172.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -94.09 -9.59 36.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.262 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -91.73 21.44 4.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 63.93 32.91 85.77 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.526 1.141 . . . . 0.0 110.962 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 107' ' ' LYS . 0.4 OUTLIER -120.77 165.25 15.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 0.768 . . . . 0.0 109.989 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . 0.449 ' HA ' ' CD2' ' A' ' 106' ' ' LEU . 21.8 p -76.25 134.24 39.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 108.258 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.456 ' HD3' ' CG2' ' A' ' 118' ' ' THR . 7.0 tttp -91.43 112.43 24.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.444 ' CB ' ' HG3' ' A' ' 117' ' ' ARG . 1.8 mpp_? -37.21 134.52 0.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.477 ' N ' ' CD ' ' A' ' 116' ' ' PRO . . . -56.77 -52.51 50.29 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.511 1.132 . . . . 0.0 111.047 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.477 ' CD ' ' N ' ' A' ' 115' ' ' GLY . 18.4 Cg_endo -75.01 35.66 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.482 1.78 . . . . 0.0 111.027 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.472 ' H ' ' C ' ' A' ' 115' ' ' GLY . 6.7 mmm180 -142.86 19.95 1.98 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.342 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.456 ' CG2' ' HD3' ' A' ' 113' ' ' LYS . 1.0 OUTLIER -118.88 164.67 15.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.387 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -147.69 166.07 28.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.565 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -85.03 114.28 22.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 110.967 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 132.11 -13.51 5.22 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.469 1.105 . . . . 0.0 110.987 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -81.05 162.58 23.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 0.764 . . . . 0.0 110.307 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.49 ' CG ' ' OG ' ' A' ' 12' ' ' SER . 5.4 ttmt -89.31 -0.39 57.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.78 -61.1 2.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.529 HG21 ' CG ' ' A' ' 103' ' ' PHE . 4.4 pt -52.66 -26.9 11.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.145 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.508 ' HB3' ' CG ' ' A' ' 89' ' ' TYR . 37.7 mt -71.57 107.99 4.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.576 ' CZ ' ' O ' ' A' ' 104' ' ' VAL . 1.3 m-30 -116.01 126.4 53.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.57 HD12 ' CD1' ' A' ' 89' ' ' TYR . 3.0 tp -107.46 115.68 59.08 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 120.54 6.11 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.496 1.787 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.448 ' CD2' ' O ' ' A' ' 128' ' ' LEU . 3.9 mm? -97.7 134.63 22.19 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 104.3 1.88 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.483 1.78 . . . . 0.0 110.962 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -97.64 1.69 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.5 64.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.984 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 64.2 p -53.13 -173.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.985 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -150.98 -171.34 3.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -94.29 -77.91 0.45 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 54.55 77.24 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.325 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -86.39 -62.4 1.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.583 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 10.5 p80 -166.68 -52.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.618 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -150.61 -60.72 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.579 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -172.48 132.09 0.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.572 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -81.49 129.2 34.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 109.603 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.564 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.257 0 CA-C-O 120.471 0.177 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -87.89 126.24 34.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -126.76 55.23 1.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 111.048 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.6 mtmm 52.25 -177.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 70.08 69.48 0.38 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.423 ' HG2' ' CG1' ' A' ' 132' ' ' VAL . 18.3 Cg_endo -75.0 -178.3 4.07 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.497 1.788 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.36 153.44 42.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.142 . . . . 0.0 109.333 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.46 144.14 39.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.505 ' HB3' ' CD2' ' A' ' 127' ' ' PHE . 21.8 mt -91.79 122.89 34.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.487 ' O ' ' CD1' ' A' ' 127' ' ' PHE . 8.9 t80 -96.21 160.15 14.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 111.046 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 13' ' ' ASN . 46.5 t -138.95 74.68 1.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 108.312 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 11' ' ' CYS . 1.4 p -37.08 -32.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.021 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 11' ' ' CYS . 15.4 t30 -40.34 -67.06 0.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.571 1.169 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -115.55 -22.31 4.8 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.504 1.127 . . . . 0.0 110.968 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 11' ' ' CYS . . . 86.86 75.24 1.27 Allowed Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.512 ' CD2' ' HG2' ' A' ' 30' ' ' ARG . 12.0 m80 -143.71 159.73 41.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 0.751 . . . . 0.0 109.581 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -106.9 140.02 40.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.967 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.404 ' CD2' HG13 ' A' ' 104' ' ' VAL . 16.7 tp -78.69 115.59 18.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.477 ' CZ ' HD23 ' A' ' 21' ' ' LEU . 2.2 ptm180 -116.46 150.46 37.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.349 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 9.5 mt -124.36 113.15 35.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 109.269 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.477 HD23 ' CZ ' ' A' ' 19' ' ' ARG . 18.7 mt -80.47 156.45 73.44 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.44 ' CB ' HG22 ' A' ' 56' ' ' THR . 18.5 Cg_endo -74.93 -2.72 12.9 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.49 1.784 . . . . 0.0 111.04 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.52 2.83 55.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.0 43.93 8.5 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.477 1.11 . . . . 0.0 110.966 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.471 ' CG2' HD13 ' A' ' 21' ' ' LEU . 3.0 m -123.93 144.88 49.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 0.773 . . . . 0.0 110.371 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.0 t -134.78 117.49 23.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -148.36 162.09 40.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 110' ' ' GLY . . . -86.35 151.83 24.85 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.513 1.133 . . . . 0.0 110.949 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 t -158.42 148.36 19.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 0.779 . . . . 0.0 110.402 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.512 ' HG2' ' CD2' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -130.89 48.89 2.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.298 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 33' ' ' SER . 4.2 t0 -105.14 -17.84 14.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 109.264 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 34' ' ' ASP . 7.1 mtm180 65.21 -65.89 0.15 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.559 1.162 . . . . 0.0 110.266 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 31' ' ' ASP . 0.2 OUTLIER -36.54 -33.56 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.995 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 32' ' ' ARG . 3.0 t0 -43.69 127.68 5.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.403 ' O ' ' OE1' ' A' ' 55' ' ' GLU . 41.6 mm-40 -101.6 35.42 2.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 110.323 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.416 ' CD2' ' HG2' ' A' ' 55' ' ' GLU . 40.2 m80 -142.89 17.61 1.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.161 . . . . 0.0 109.638 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.463 ' CG2' ' HB3' ' A' ' 19' ' ' ARG . 19.8 pt -106.09 -18.94 6.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -67.89 98.65 0.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.295 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 81.9 mt -106.27 147.0 29.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.467 ' HB2' ' CG2' ' A' ' 54' ' ' THR . 0.0 OUTLIER -106.52 114.65 28.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -93.25 136.21 33.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.2 m -141.32 159.69 41.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.995 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -116.52 129.01 55.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.555 1.16 . . . . 0.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.426 ' HG2' ' OG ' ' A' ' 45' ' ' SER . 0.5 OUTLIER -113.15 -41.12 3.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 110.254 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.426 ' OG ' ' HG2' ' A' ' 44' ' ' GLU . 0.9 OUTLIER -128.53 165.99 19.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.432 1.082 . . . . 0.0 109.985 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.1 t -63.97 117.12 4.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.44 1.088 . . . . 0.0 109.316 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.18 9.38 86.67 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.463 1.102 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -116.56 140.93 48.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 0.762 . . . . 0.0 110.304 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 19.9 m -137.74 152.54 26.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -122.33 132.69 54.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.7 mt -112.44 125.18 69.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -135.35 140.84 45.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.26 121.38 24.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.043 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.467 ' CG2' ' HB2' ' A' ' 40' ' ' GLN . 68.4 p -81.45 -3.6 53.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.358 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.416 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 11.0 tp10 -99.74 -69.61 0.76 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.44 HG22 ' CB ' ' A' ' 22' ' ' PRO . 22.2 p -70.38 -62.37 1.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.425 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 120.29 38.88 0.66 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -121.92 164.8 16.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 0.747 . . . . 0.0 110.294 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -108.13 141.05 40.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.3 tp -77.02 113.05 14.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.105 . . . . 0.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -134.69 152.47 51.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 36.6 tpp -104.11 136.93 42.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.529 ' CG ' ' CE2' ' A' ' 69' ' ' TYR . 0.7 OUTLIER -91.52 -170.38 2.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 58.0 p -81.45 -21.12 39.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.429 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.451 ' CB ' HD21 ' A' ' 67' ' ' LEU . 2.2 m-20 -77.38 -2.88 37.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 81.51 -2.44 82.4 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.538 1.149 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.451 HD21 ' CB ' ' A' ' 65' ' ' ASP . 0.5 OUTLIER -85.67 156.26 20.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 0.792 . . . . 0.0 109.313 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.433 ' CD1' HG12 ' A' ' 104' ' ' VAL . 35.3 mt -96.15 142.17 28.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.554 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 2.9 p90 -151.06 162.19 41.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.975 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -93.98 130.41 10.3 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.8 t -96.08 139.89 31.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 0.784 . . . . 0.0 110.023 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -70.33 -34.9 73.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.3 p -120.59 159.06 49.86 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.415 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 111.79 3.41 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.501 1.79 . . . . 0.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -124.53 154.57 40.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.41 -25.4 1.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.323 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.426 ' O ' ' CE1' ' A' ' 80' ' ' PHE . 25.2 mt-10 -65.11 -27.82 69.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.097 . . . . 0.0 110.295 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 63.6 m -79.56 -15.63 57.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 108.288 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.0 tp -89.8 124.87 35.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.426 ' CE1' ' O ' ' A' ' 77' ' ' GLU . 13.0 m-85 -125.0 165.04 18.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.575 1.172 . . . . 0.0 110.997 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.93 129.73 51.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.55 146.18 36.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.322 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.499 ' HG3' ' N ' ' A' ' 84' ' ' LEU . 16.1 tpt180 -143.86 151.08 39.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.499 ' N ' ' HG3' ' A' ' 83' ' ' ARG . 0.6 OUTLIER -95.45 126.26 40.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -99.52 160.72 14.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.247 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -83.83 51.09 1.95 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -158.08 26.55 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 59.2 m-70 53.37 43.41 31.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.566 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.418 ' CE1' HD11 ' A' ' 128' ' ' LEU . 4.3 m-85 -143.81 143.69 31.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.437 ' N ' ' OD1' ' A' ' 90' ' ' ASN . 0.7 OUTLIER -114.48 156.86 23.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 109.352 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 60.5 p -126.67 170.67 11.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 110.361 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -143.64 133.12 23.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.54 HD11 ' CE2' ' A' ' 103' ' ' PHE . 16.6 mt -131.27 140.3 48.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.6 t -66.49 138.74 57.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 109.981 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -72.46 0.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.573 ' HB3' ' CD2' ' A' ' 97' ' ' HIS . 2.6 tttt -44.26 -29.14 0.61 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 109.254 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.573 ' CD2' ' HB3' ' A' ' 96' ' ' LYS . 0.2 OUTLIER -122.02 51.14 1.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.615 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -84.15 -48.08 10.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -65.97 -10.52 40.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.278 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.542 ' HD2' ' CZ2' ' A' ' 102' ' ' TRP . 14.4 mttt -83.12 -9.7 59.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 52.71 63.77 2.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.165 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.567 ' CD1' ' C ' ' A' ' 115' ' ' GLY . 46.0 m0 -113.21 131.83 55.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 107.994 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.54 ' CE2' HD11 ' A' ' 93' ' ' ILE . 64.8 m-85 -116.78 148.96 40.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.985 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.471 ' O ' ' C ' ' A' ' 105' ' ' GLY . 8.3 t -76.49 -17.72 14.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.145 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.565 ' HA2' ' CE1' ' A' ' 127' ' ' PHE . . . -31.96 139.92 0.06 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.406 ' CD2' ' HA ' ' A' ' 112' ' ' CYS . 1.1 mt -106.83 160.72 15.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 0.765 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 111' ' ' SER . 20.1 mttt -72.45 -170.82 0.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.436 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 0.3 OUTLIER -74.66 -29.87 61.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.421 1.076 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.416 ' N ' ' HG3' ' A' ' 108' ' ' LYS . 16.2 p-10 -83.89 16.03 3.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . 62.25 43.53 98.97 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.533 1.146 . . . . 0.0 111.037 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 107' ' ' LYS . 0.4 OUTLIER -112.94 147.16 37.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 0.784 . . . . 0.0 109.982 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . 0.406 ' HA ' ' CD2' ' A' ' 106' ' ' LEU . 18.4 p -65.96 128.87 37.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 108.307 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.408 ' HD3' ' CG2' ' A' ' 118' ' ' THR . 10.4 tttp -90.48 115.82 27.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.431 ' CB ' ' HG3' ' A' ' 117' ' ' ARG . 0.1 OUTLIER -38.38 132.13 1.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.32 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.567 ' C ' ' CD1' ' A' ' 102' ' ' TRP . . . -46.94 -59.07 5.8 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 34.21 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.527 1.804 . . . . 0.0 111.06 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.491 ' H ' ' C ' ' A' ' 115' ' ' GLY . 5.9 mmm180 -143.12 19.35 1.93 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 110.277 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.408 ' CG2' ' HD3' ' A' ' 113' ' ' LYS . 2.9 p -125.84 163.19 23.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.411 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -169.01 -171.42 1.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.596 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -87.93 144.64 26.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 111.001 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 108.8 -22.97 24.92 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.515 1.134 . . . . 0.0 110.972 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -79.57 144.64 33.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 0.78 . . . . 0.0 110.287 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 21.8 ttmt -92.7 28.68 1.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.451 ' O ' ' CA ' ' A' ' 105' ' ' GLY . . . -106.73 -31.0 8.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.137 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.499 HD11 ' CE2' ' A' ' 103' ' ' PHE . 15.7 pt -77.56 -27.65 15.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 76.7 mt -65.47 103.95 0.91 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.11 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.565 ' CE1' ' HA2' ' A' ' 105' ' ' GLY . 2.2 m-30 -115.9 149.8 38.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.939 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.418 HD11 ' CE1' ' A' ' 89' ' ' TYR . 0.5 OUTLIER -131.11 115.61 16.5 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 107.21 2.43 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.509 1.794 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.471 ' CD2' ' HB2' ' A' ' 10' ' ' TYR . 2.1 mm? -87.34 141.59 32.7 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 130' ' ' LEU . 18.1 Cg_endo -75.06 128.08 11.15 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.474 1.776 . . . . 0.0 110.973 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.423 ' CG1' ' HG2' ' A' ' 6' ' ' PRO . 0.3 OUTLIER -128.21 156.76 40.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 44.17 91.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 110.0 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.94 155.71 7.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 110.001 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 169.8 149.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.436 ' N ' ' CD1' ' A' ' 136' ' ' LEU . 0.0 OUTLIER -102.33 -168.53 1.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.526 ' O ' ' CG ' ' A' ' 138' ' ' HIS . 10.4 mt-10 -124.24 176.46 6.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.293 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . 0.526 ' CG ' ' O ' ' A' ' 137' ' ' GLU . 1.8 m-70 -179.47 176.82 0.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.591 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 50.1 t60 68.61 161.91 0.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.633 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 67.2 127.32 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.595 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 18.8 t60 -166.76 170.81 12.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.592 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -61.18 104.56 0.4 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.503 1.127 . . . . 0.0 109.591 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.613 179.971 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.7 ptm . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.525 0.202 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -166.07 -46.63 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -121.01 155.53 34.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.991 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -163.72 -69.93 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.5 mmpt? -58.36 154.75 30.95 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.254 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 150.28 37.84 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.515 1.797 . . . . 0.0 110.987 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.28 164.03 29.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.444 HD22 ' CD1' ' A' ' 37' ' ' ILE . 0.8 OUTLIER -109.21 141.78 40.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -91.78 117.78 30.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.338 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.568 ' CE1' ' HA2' ' A' ' 15' ' ' GLY . 64.7 t80 -98.38 154.31 17.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.972 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 15' ' ' GLY . 53.6 t -131.84 79.13 1.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 108.33 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.476 ' HA ' ' CE2' ' A' ' 10' ' ' TYR . 2.1 t -37.88 -32.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.0 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 11' ' ' CYS . 30.9 t30 -42.97 -53.18 4.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -119.71 -35.8 0.88 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.568 ' HA2' ' CE1' ' A' ' 10' ' ' TYR . . . 94.5 65.56 1.01 Allowed Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 55.5 m80 -140.55 162.68 34.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.442 0.73 . . . . 0.0 109.577 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -104.5 143.04 33.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.0 tp -77.78 112.02 14.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.426 ' NE ' HD22 ' A' ' 21' ' ' LEU . 17.9 ttp180 -108.82 140.02 42.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.158 . . . . 0.0 110.313 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 33.7 mt -119.94 103.25 13.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.426 HD22 ' NE ' ' A' ' 19' ' ' ARG . 19.6 mt -74.0 155.3 88.56 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.347 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -0.7 10.3 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.483 1.78 . . . . 0.0 110.984 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -94.8 7.06 47.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.25 36.28 35.33 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.532 1.145 . . . . 0.0 111.02 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.4 m -115.69 146.63 41.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 0.781 . . . . 0.0 110.4 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.2 t -135.38 114.21 16.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.411 1.069 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -148.88 162.81 39.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.63 137.93 17.5 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.52 1.137 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.435 ' CG2' ' CG2' ' A' ' 37' ' ' ILE . 4.4 t -141.36 118.39 11.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 0.758 . . . . 0.0 110.358 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.2 ttt180 -93.98 56.06 2.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.446 ' O ' ' C ' ' A' ' 32' ' ' ARG . 5.7 t0 -142.64 79.91 1.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.459 ' O ' ' C ' ' A' ' 33' ' ' SER . 2.7 mpp_? -35.59 -44.82 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.459 ' C ' ' O ' ' A' ' 32' ' ' ARG . 0.3 OUTLIER -35.07 -41.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.983 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.403 ' OD2' ' NH1' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -43.75 123.12 3.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -92.5 34.91 1.03 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.255 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.563 ' CD2' ' HG2' ' A' ' 55' ' ' GLU . 24.6 m80 -130.37 -45.38 1.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.583 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.452 ' O ' ' N ' ' A' ' 39' ' ' LEU . 30.1 pt -43.33 -27.8 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.434 ' N ' ' C ' ' A' ' 36' ' ' HIS . 5.2 mt-30 -59.63 82.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 37' ' ' ILE . 41.9 mt -88.53 148.04 24.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.255 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.434 ' HB2' ' CG2' ' A' ' 54' ' ' THR . 0.0 OUTLIER -104.43 114.39 28.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.147 . . . . 0.0 110.294 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.445 HD11 ' N ' ' A' ' 41' ' ' LEU . 0.2 OUTLIER -97.18 133.85 41.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.564 1.165 . . . . 0.0 109.26 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.6 m -143.77 156.03 44.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.988 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -114.54 124.53 52.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -108.36 -41.36 4.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.4 ' OG ' ' OE1' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -126.68 163.3 23.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.99 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 55.0 t -62.18 119.8 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.87 13.92 83.13 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.115 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.464 ' HB3' ' CD1' ' A' ' 79' ' ' LEU . 15.4 mt-10 -120.79 136.72 54.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 0.746 . . . . 0.0 110.284 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 32.8 m -136.33 149.29 27.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.52 ' CE2' HD13 ' A' ' 79' ' ' LEU . 7.5 m-85 -116.92 132.02 56.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.2 mt -115.87 121.82 68.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.249 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -142.21 153.46 44.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.28 137.48 33.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.989 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.434 ' CG2' ' HB2' ' A' ' 40' ' ' GLN . 58.6 p -94.45 8.91 40.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 110.442 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.563 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 4.5 tp10 -103.83 -70.64 0.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 27.1 p -74.94 -54.89 6.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.402 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 115.27 41.31 0.82 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.474 1.109 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -115.56 156.44 25.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 0.754 . . . . 0.0 110.314 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.458 ' CE1' ' HB3' ' A' ' 74' ' ' PRO . 54.5 m-85 -103.45 140.88 36.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 110.989 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.0 tp -80.73 116.74 20.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.251 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.441 ' HB3' ' CZ ' ' A' ' 69' ' ' TYR . . . -138.4 155.42 48.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 50.9 ttm -109.95 115.88 30.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.54 ' CG ' ' CE2' ' A' ' 69' ' ' TYR . 1.1 m-20 -69.93 -172.14 0.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.3 p -82.15 -2.23 51.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 110.395 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -86.54 -13.57 45.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.08 -8.43 77.83 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.535 1.147 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.41 HD13 ' N ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -91.68 164.93 13.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 0.778 . . . . 0.0 109.286 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.411 ' CD1' HG12 ' A' ' 104' ' ' VAL . 5.7 mt -101.05 141.73 33.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.54 ' CE2' ' CG ' ' A' ' 63' ' ' ASP . 4.8 p90 -139.71 166.75 23.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.138 . . . . 0.0 111.009 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -89.58 119.7 5.57 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.461 ' OG ' ' O ' ' A' ' 73' ' ' THR . 0.1 OUTLIER -86.83 140.22 29.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 0.751 . . . . 0.0 109.987 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -77.86 -31.19 51.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.28 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.461 ' O ' ' OG ' ' A' ' 71' ' ' SER . 13.7 p -131.95 155.94 80.73 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.425 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.458 ' HB3' ' CE1' ' A' ' 59' ' ' TYR . 18.4 Cg_endo -74.99 110.54 3.14 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.503 1.791 . . . . 0.0 110.977 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 60.3 m-80 -124.29 157.61 34.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -46.32 -25.54 0.66 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.27 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -61.58 -31.78 71.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.323 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.423 ' SG ' ' CB ' ' A' ' 59' ' ' TYR . 24.6 m -75.72 -16.5 60.14 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 108.331 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.52 HD13 ' CE2' ' A' ' 50' ' ' TYR . 4.1 tp -85.29 119.55 25.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -117.84 165.66 13.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.414 ' CD1' ' HG2' ' A' ' 48' ' ' GLU . 1.3 mm? -103.04 123.43 46.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.422 ' HG2' ' N ' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -108.99 144.79 36.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.342 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.422 ' N ' ' HG2' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -142.55 166.23 25.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.354 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.73 112.55 24.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.469 ' HG3' ' CG2' ' A' ' 91' ' ' THR . 8.7 mm-40 -105.29 151.78 23.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -56.25 176.43 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.327 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 68.11 9.81 7.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.127 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 37.5 m170 62.29 61.49 1.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.554 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.511 ' CD1' HD11 ' A' ' 128' ' ' LEU . 2.3 m-85 -143.62 151.5 40.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 110.999 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.403 ' OD1' ' N ' ' A' ' 90' ' ' ASN . 0.8 OUTLIER -113.31 160.29 18.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.27 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.552 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 24.3 p -130.03 171.62 12.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.428 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.552 ' CD1' ' O ' ' A' ' 91' ' ' THR . 33.8 m-85 -149.86 132.98 16.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 111.026 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.542 HD13 ' CE2' ' A' ' 103' ' ' PHE . 34.4 mt -134.33 143.75 37.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.266 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.422 ' N ' HG22 ' A' ' 93' ' ' ILE . 0.2 OUTLIER -69.24 138.71 54.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.039 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.04 -65.35 0.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.572 ' HB3' ' CD2' ' A' ' 97' ' ' HIS . 18.7 tttt -51.2 -22.69 2.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.572 ' CD2' ' HB3' ' A' ' 96' ' ' LYS . 0.1 OUTLIER -123.77 41.53 3.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.572 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 94' ' ' SER . . . -76.64 -41.69 44.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.41 ' O ' ' OD1' ' A' ' 101' ' ' ASN . 4.3 pt-20 -68.84 -22.2 64.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 110.293 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.534 ' HD3' ' CZ2' ' A' ' 102' ' ' TRP . 0.9 OUTLIER -74.56 -9.87 59.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.41 ' OD1' ' O ' ' A' ' 99' ' ' GLU . 0.4 OUTLIER 50.13 65.04 1.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.543 ' CD1' ' HA ' ' A' ' 116' ' ' PRO . 51.2 m0 -111.99 131.98 55.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 108.036 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.542 ' CE2' HD13 ' A' ' 93' ' ' ILE . 88.5 m-85 -115.64 148.2 39.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 111.033 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.411 HG12 ' CD1' ' A' ' 68' ' ' LEU . 40.6 t -87.44 125.78 41.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.485 ' HA2' ' CE1' ' A' ' 127' ' ' PHE . . . -161.15 165.94 35.54 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.54 1.15 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 8.9 mt -134.16 137.11 44.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 0.767 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.2 mmtm -64.84 -168.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -82.73 -23.29 34.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -86.29 7.23 26.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 73.53 35.23 56.04 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.529 1.143 . . . . 0.0 111.018 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 37.5 m -109.2 141.7 41.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.766 . . . . 0.0 110.01 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 17.6 p -66.39 135.25 54.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 108.276 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.436 ' HE3' ' CG2' ' A' ' 118' ' ' THR . 28.5 ttpt -90.1 121.85 32.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 113' ' ' LYS . 0.2 OUTLIER -36.67 132.77 0.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.284 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.58 ' N ' ' CD ' ' A' ' 116' ' ' PRO . . . -61.22 -46.46 94.44 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.443 1.089 . . . . 0.0 110.984 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.58 ' CD ' ' N ' ' A' ' 115' ' ' GLY . 18.2 Cg_endo -75.03 3.01 6.01 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.497 1.788 . . . . 0.0 110.992 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.403 ' HG3' ' CB ' ' A' ' 114' ' ' ARG . 4.9 mmt-85 -115.39 41.38 2.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.361 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.444 ' O ' ' ND1' ' A' ' 119' ' ' HIS . 18.6 p -122.52 166.92 14.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.383 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.444 ' ND1' ' O ' ' A' ' 118' ' ' THR . 0.0 OUTLIER -176.48 175.11 1.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.58 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.418 ' CE1' ' CZ ' ' A' ' 103' ' ' PHE . 30.7 m-85 -88.22 123.36 32.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.988 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 133.86 -23.22 3.76 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.473 1.108 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -80.06 151.41 29.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 110.246 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 22.9 ttmt -93.28 21.64 5.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -98.65 -52.99 3.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 3.7 pt -55.16 -25.36 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.257 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.48 ' HB3' ' CG ' ' A' ' 89' ' ' TYR . 23.9 mt -73.12 109.7 6.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.485 ' CE1' ' HA2' ' A' ' 105' ' ' GLY . 1.8 m-30 -118.89 145.1 45.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.511 HD11 ' CD1' ' A' ' 89' ' ' TYR . 3.7 tp -130.4 116.78 17.57 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.16 . . . . 0.0 109.318 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 128.01 11.13 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.511 1.795 . . . . 0.0 111.001 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.407 ' CD2' ' O ' ' A' ' 128' ' ' LEU . 3.9 mm? -101.69 132.28 21.9 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.348 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 103.73 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.447 1.761 . . . . 0.0 111.0 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 4.7 p -94.88 -5.45 10.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.332 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -163.57 76.73 0.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 109.965 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 4.2 m -40.69 159.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.0 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 137' ' ' GLU . 0.0 OUTLIER -88.45 -69.49 0.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 56.41 -85.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.515 ' O ' ' CG ' ' A' ' 138' ' ' HIS . 0.0 OUTLIER -52.08 126.37 18.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 110.313 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . 0.515 ' CG ' ' O ' ' A' ' 137' ' ' GLU . 0.8 OUTLIER 164.13 170.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.149 . . . . 0.0 109.662 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -120.46 118.07 29.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.6 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 -98.78 168.77 9.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.575 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 42.4 p-80 -147.18 158.2 43.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.622 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -169.71 145.35 3.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.591 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.621 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 mpp? . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.445 0.164 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -174.61 148.76 1.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.329 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -57.3 114.81 2.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -98.21 -77.81 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.528 ' N ' ' CB ' ' A' ' 133' ' ' SER . 1.7 mttt 173.42 -59.27 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.49 ' HD3' ' CB ' ' A' ' 5' ' ' LYS . 18.3 Cg_endo -75.0 -162.43 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.528 1.804 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.426 ' HB2' ' O ' ' A' ' 130' ' ' LEU . 0.0 OUTLIER -140.77 172.31 12.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.588 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 0.7 OUTLIER -110.62 159.25 17.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 29.1 mt -108.06 104.23 13.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.489 ' CZ ' ' HA2' ' A' ' 15' ' ' GLY . 33.2 t80 -83.81 166.28 18.1 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.494 ' O ' ' C ' ' A' ' 12' ' ' SER . 53.3 t -141.18 78.36 1.64 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 108.311 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.494 ' C ' ' O ' ' A' ' 11' ' ' CYS . 0.8 OUTLIER -32.3 -40.66 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.02 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 11' ' ' CYS . 24.6 t30 -38.3 -64.82 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -109.09 -30.72 3.55 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.509 1.131 . . . . 0.0 111.023 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.489 ' HA2' ' CZ ' ' A' ' 10' ' ' TYR . . . 87.35 76.34 1.27 Allowed Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.578 ' CD2' ' HB2' ' A' ' 30' ' ' ARG . 49.8 m80 -151.04 158.03 43.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 0.774 . . . . 0.0 109.638 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.588 ' CD1' ' HB3' ' A' ' 8' ' ' LEU . 21.5 m-85 -96.86 141.4 30.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.47 ' CD2' HD21 ' A' ' 60' ' ' LEU . 9.5 tp -78.75 110.31 13.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.468 ' HB3' ' CG2' ' A' ' 37' ' ' ILE . 5.2 ptm180 -116.61 154.08 31.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.415 ' CD1' ' HB2' ' A' ' 60' ' ' LEU . 47.1 mt -125.24 111.01 26.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.455 HD23 ' CZ ' ' A' ' 19' ' ' ARG . 33.6 mt -72.12 157.92 88.51 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.246 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 0.71 8.61 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.489 1.784 . . . . 0.0 110.976 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.66 -17.57 19.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.69 46.37 1.52 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.47 ' CG2' ' OD2' ' A' ' 27' ' ' ASP . 1.1 m -126.53 147.89 49.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 0.76 . . . . 0.0 110.409 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.7 t -134.47 110.87 13.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.13 . . . . 0.0 109.253 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.47 ' OD2' ' CG2' ' A' ' 25' ' ' THR . 0.7 OUTLIER -149.02 162.59 39.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.085 . . . . 0.0 109.313 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -79.47 136.31 17.0 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.564 1.165 . . . . 0.0 110.95 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.496 ' O ' ' C ' ' A' ' 30' ' ' ARG . 12.8 t -123.73 -1.12 8.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 0.787 . . . . 0.0 110.384 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.578 ' HB2' ' CD2' ' A' ' 16' ' ' HIS . 0.2 OUTLIER 31.55 41.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.276 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 29' ' ' THR . 0.3 OUTLIER -130.88 128.43 40.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.486 ' HG2' ' CE2' ' A' ' 17' ' ' PHE . 2.3 mtm180 -88.76 -22.94 23.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.01 -57.17 14.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.965 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -43.92 148.51 0.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -102.7 -25.91 13.37 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.526 1.141 . . . . 0.0 110.327 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.57 ' CD2' ' HG2' ' A' ' 55' ' ' GLU . 70.5 m80 -59.66 -15.31 18.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.594 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.468 ' CG2' ' HB3' ' A' ' 19' ' ' ARG . 2.7 pt -80.28 -36.33 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.504 ' HA ' ' CD1' ' A' ' 8' ' ' LEU . 60.3 mt-30 -55.66 95.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.238 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.418 ' O ' ' HB2' ' A' ' 6' ' ' PRO . 41.1 mt -100.66 147.64 25.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.4 117.3 34.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 0.0 110.323 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.6 mp -99.99 136.27 40.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.6 m -141.37 160.86 39.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.98 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -115.82 124.04 49.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.467 ' HG2' ' OG ' ' A' ' 45' ' ' SER . 0.5 OUTLIER -105.78 -45.42 4.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 110.31 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.467 ' OG ' ' HG2' ' A' ' 44' ' ' GLU . 0.8 OUTLIER -128.83 166.75 18.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 110.026 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.6 p -61.15 121.68 9.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.257 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.48 14.66 79.38 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.538 1.149 . . . . 0.0 110.991 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -122.69 131.12 53.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 0.741 . . . . 0.0 110.313 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 15.3 m -129.64 153.31 38.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.499 ' CZ ' ' HB2' ' A' ' 79' ' ' LEU . 1.4 m-85 -120.99 131.44 54.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.157 . . . . 0.0 110.975 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.9 mt -110.7 128.45 67.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.26 152.57 44.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.0 128.55 37.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.057 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 20.7 p -90.41 8.53 33.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.132 . . . . 0.0 110.412 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.57 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 35.9 tp10 -103.36 -67.03 0.9 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.325 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 43.7 p -80.82 -41.98 22.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 110.381 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 102.52 39.15 2.84 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.132 . . . . 0.0 111.008 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -119.69 156.38 30.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.77 . . . . 0.0 110.299 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -98.84 139.29 34.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.974 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.47 HD21 ' CD2' ' A' ' 18' ' ' LEU . 4.0 tp -77.67 119.5 21.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -139.67 149.64 43.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 38.7 ttm -103.2 116.14 31.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.977 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -65.53 172.85 3.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.253 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.8 p -66.14 -35.97 81.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.385 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.436 ' CB ' HD23 ' A' ' 67' ' ' LEU . 6.4 m-20 -54.46 -31.65 56.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 111.57 6.18 25.38 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.517 1.136 . . . . 0.0 110.976 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.447 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 0.8 OUTLIER -96.5 161.23 14.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 0.756 . . . . 0.0 109.308 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.9 mt -99.11 139.0 35.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.572 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 1.8 p90 -150.13 154.89 38.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -85.65 125.51 7.32 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.524 1.14 . . . . 0.0 110.97 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.3 t -90.33 139.74 30.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 0.747 . . . . 0.0 110.006 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.13 -36.86 84.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.279 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.9 p -123.12 159.02 56.08 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.403 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 103.23 1.7 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.493 1.786 . . . . 0.0 111.035 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 18.2 m-20 -115.37 157.41 23.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 109.323 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -47.38 -35.56 8.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 110.292 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -57.32 -21.31 34.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 110.301 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 74.4 m -85.24 -16.89 38.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 108.305 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.499 ' HB2' ' CZ ' ' A' ' 50' ' ' TYR . 9.5 tp -87.45 128.09 35.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -128.07 166.05 19.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -102.65 127.5 49.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -108.85 147.26 32.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 110.297 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.76 155.46 29.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 110.338 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -92.4 120.75 33.21 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.469 ' HG3' ' CG2' ' A' ' 91' ' ' THR . 9.4 mm-40 -97.76 167.82 10.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.465 ' O ' ' O ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -46.51 177.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.31 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 36.8 m-20 62.89 -89.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 175.32 52.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.605 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.423 ' CG ' ' HB3' ' A' ' 126' ' ' LEU . 33.2 m-85 -128.35 164.92 21.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.103 . . . . 0.0 110.986 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -122.17 151.48 40.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.469 ' CG2' ' HG3' ' A' ' 85' ' ' GLU . 8.5 p -126.45 150.28 48.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.374 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -130.54 132.68 45.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 111.04 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.454 ' CD1' ' CE2' ' A' ' 103' ' ' PHE . 65.2 mt -130.7 143.48 40.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.404 ' O ' ' CA ' ' A' ' 98' ' ' ALA . 7.4 t -70.4 138.48 51.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.979 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 98' ' ' ALA . 0.4 OUTLIER -67.25 -77.16 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.449 ' HB3' ' CD2' ' A' ' 97' ' ' HIS . 3.2 mttt -40.27 -30.88 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.449 ' CD2' ' HB3' ' A' ' 96' ' ' LYS . 2.2 m-70 -120.82 51.86 1.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.641 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 95' ' ' LYS . . . -87.25 -47.93 8.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -58.78 -20.58 51.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.291 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.562 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 3.8 mtpt -75.87 -3.78 37.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 45.98 64.26 1.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.168 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.562 ' CD1' ' O ' ' A' ' 100' ' ' LYS . 50.7 m0 -112.13 130.98 55.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 107.986 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.454 ' CE2' ' CD1' ' A' ' 93' ' ' ILE . 95.5 m-85 -116.26 148.83 40.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 110.959 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.3 t -85.42 118.03 31.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -158.45 161.57 31.81 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.546 1.154 . . . . 0.0 110.968 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.401 ' CD2' ' HA ' ' A' ' 112' ' ' CYS . 6.9 mt -125.45 156.89 38.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 0.783 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -82.77 -172.06 3.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.9 ttmt -78.0 -20.69 52.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -86.8 4.28 41.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.291 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 73.91 34.63 55.65 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.523 1.139 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 96.3 p -111.6 146.43 37.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 0.783 . . . . 0.0 109.977 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . 0.401 ' HA ' ' CD2' ' A' ' 106' ' ' LEU . 17.2 p -65.89 135.5 54.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 108.297 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.0 ttmm -89.97 125.67 35.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.259 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.48 129.26 4.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.32 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.514 ' N ' ' CD ' ' A' ' 116' ' ' PRO . . . -54.41 -50.36 56.89 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.496 1.123 . . . . 0.0 110.946 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.514 ' CD ' ' N ' ' A' ' 115' ' ' GLY . 18.3 Cg_endo -74.96 33.57 0.38 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.476 1.777 . . . . 0.0 110.979 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.499 ' H ' ' C ' ' A' ' 115' ' ' GLY . 3.4 mmt-85 -143.03 22.65 1.91 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.254 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 115' ' ' GLY . 2.6 p -114.27 160.7 18.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.363 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -175.63 179.58 1.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.577 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -79.49 144.33 34.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 108.96 -24.68 20.86 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -81.34 149.7 28.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 0.776 . . . . 0.0 110.257 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 3.1 ttmm -93.62 23.78 4.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -95.78 -56.47 2.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.138 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.435 HG23 ' CG ' ' A' ' 103' ' ' PHE . 12.1 pt -47.81 -41.54 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.423 ' HB3' ' CG ' ' A' ' 89' ' ' TYR . 31.3 mt -59.79 107.64 0.64 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -115.52 133.42 56.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.982 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.483 ' O ' ' CD2' ' A' ' 130' ' ' LEU . 5.4 tp -114.59 104.18 54.53 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . 0.413 ' HA ' ' O ' ' A' ' 8' ' ' LEU . 18.1 Cg_endo -75.02 119.27 5.57 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.503 1.791 . . . . 0.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.483 ' CD2' ' O ' ' A' ' 128' ' ' LEU . 3.7 mm? -97.4 127.18 38.96 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 128.01 11.1 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.449 1.762 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.494 ' HB ' ' CD2' ' A' ' 8' ' ' LEU . 3.1 p -102.4 13.54 6.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.528 ' CB ' ' N ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -156.36 163.19 39.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.041 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.05 123.61 47.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.083 . . . . 0.0 109.996 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -168.02 162.62 13.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.416 ' O ' ' CB ' ' A' ' 137' ' ' GLU . 0.2 OUTLIER -51.14 -178.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.416 ' CB ' ' O ' ' A' ' 136' ' ' LEU . 2.4 mt-10 166.97 95.8 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.298 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -72.31 -179.98 3.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.613 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -110.28 175.74 5.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.587 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 7.9 p-80 -77.18 177.18 8.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.586 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -117.82 171.68 7.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.585 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 13.1 m80 -88.03 170.36 11.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.62 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 19.4 p-80 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.096 . . . . 0.0 109.611 -179.973 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.46 0.172 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 10.9 p-10 -135.84 98.59 3.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 109.271 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -130.02 125.33 35.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.77 167.37 20.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.41 ' N ' ' HD2' ' A' ' 5' ' ' LYS . 0.0 OUTLIER 67.32 156.93 0.14 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 168.69 24.25 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.462 1.769 . . . . 0.0 110.997 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.415 ' N ' ' CD ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -140.48 177.35 8.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.276 -179.932 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.7 mt -123.38 138.4 54.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.519 HD12 ' CE2' ' A' ' 92' ' ' TYR . 23.4 mt -91.99 110.85 22.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.509 ' CE2' ' HA ' ' A' ' 12' ' ' SER . 54.3 t80 -88.3 151.87 22.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.409 ' O ' ' C ' ' A' ' 12' ' ' SER . 9.2 t -122.46 81.39 1.84 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 108.254 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.509 ' HA ' ' CE2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -38.07 -40.59 0.5 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.02 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.411 ' N ' ' HG2' ' A' ' 123' ' ' LYS . 48.0 t30 -67.68 70.34 0.12 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 12' ' ' SER . . . 121.25 -46.32 1.13 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.506 ' HA2' ' CE1' ' A' ' 10' ' ' TYR . . . 92.0 87.36 1.49 Allowed Glycine 0 CA--C 1.531 1.042 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.556 ' CD2' ' HG2' ' A' ' 30' ' ' ARG . 61.5 m80 -154.79 160.72 41.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 0.785 . . . . 0.0 109.651 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -113.22 141.58 46.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 111.021 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.467 ' CD1' HD23 ' A' ' 106' ' ' LEU . 11.5 tp -79.01 122.41 26.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.474 ' CZ ' ' HB ' ' A' ' 29' ' ' THR . 1.0 OUTLIER -125.25 151.31 46.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 71.4 mt -124.5 111.74 29.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 29.2 mt -82.07 157.65 68.3 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.472 ' CB ' HG23 ' A' ' 56' ' ' THR . 18.1 Cg_endo -75.06 0.57 8.77 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.464 1.771 . . . . 0.0 110.981 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.91 3.27 49.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.76 47.99 7.46 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.565 1.166 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.8 m -125.61 141.16 52.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 0.751 . . . . 0.0 110.37 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.463 HG12 ' CD1' ' A' ' 60' ' ' LEU . 4.1 t -135.06 113.28 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -148.66 162.11 40.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.107 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -84.7 142.25 20.01 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.47 1.107 . . . . 0.0 111.059 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.474 ' HB ' ' CZ ' ' A' ' 19' ' ' ARG . 9.0 t -146.19 132.99 20.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 0.754 . . . . 0.0 110.399 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.556 ' HG2' ' CD2' ' A' ' 16' ' ' HIS . 9.3 ptt180 -103.59 56.11 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.321 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -142.51 88.28 2.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 33' ' ' SER . 0.1 OUTLIER -39.97 -36.38 0.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.266 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 32' ' ' ARG . 0.1 OUTLIER -38.32 -51.16 1.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.971 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -44.38 141.34 1.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -107.97 -16.35 14.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.331 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.4 ' CD2' ' HG2' ' A' ' 55' ' ' GLU . 9.0 m80 -76.0 -7.42 54.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.597 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.405 ' CG2' ' HB3' ' A' ' 19' ' ' ARG . 14.6 pt -83.37 -16.74 11.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -67.16 83.63 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.255 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 44.9 mt -93.98 144.18 25.69 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.587 1.18 . . . . 0.0 109.345 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.431 ' HB2' ' CG2' ' A' ' 54' ' ' THR . 0.0 OUTLIER -106.87 114.9 29.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.302 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.52 133.69 39.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.4 m -133.73 161.31 35.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.004 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -118.79 130.22 55.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.619 ' OE2' ' CD2' ' A' ' 50' ' ' TYR . 62.5 mt-10 -117.54 -51.06 2.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 110.307 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.39 165.69 20.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.979 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 40.7 t -54.44 125.08 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.412 ' O ' ' HA ' ' A' ' 81' ' ' LEU . . . 65.58 13.85 59.31 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.423 ' HB3' HD13 ' A' ' 79' ' ' LEU . 4.7 mt-10 -114.18 120.9 42.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 0.746 . . . . 0.0 110.312 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.403 ' O ' HD11 ' A' ' 79' ' ' LEU . 13.9 m -130.69 148.57 33.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.627 ' CD2' HD12 ' A' ' 79' ' ' LEU . 1.6 m-85 -114.92 131.48 56.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.6 mt -111.88 118.56 57.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.31 152.7 51.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.6 137.21 32.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.023 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.431 ' CG2' ' HB2' ' A' ' 40' ' ' GLN . 44.0 p -100.23 11.02 40.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.372 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.4 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 11.2 tp10 -109.16 -72.47 0.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.472 HG23 ' CB ' ' A' ' 22' ' ' PRO . 27.0 p -70.26 -63.08 1.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.403 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 126.49 41.21 0.33 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.49 1.118 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -127.04 161.0 29.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 0.789 . . . . 0.0 110.301 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 5.5 m-30 -104.48 146.54 28.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.463 ' CD1' HG12 ' A' ' 26' ' ' VAL . 5.8 tp -81.53 114.67 20.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.443 1.089 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -137.22 154.84 50.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.414 ' HE1' ' CD2' ' A' ' 68' ' ' LEU . 20.7 tpp -106.12 136.74 45.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 0.0 110.982 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.521 ' OD2' ' CD2' ' A' ' 69' ' ' TYR . 0.5 OUTLIER -92.94 -169.69 2.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 76.7 p -77.46 -27.16 51.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.415 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.445 ' CB ' HD21 ' A' ' 67' ' ' LEU . 11.3 m-20 -69.57 -8.2 45.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 82.91 6.63 88.21 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.502 1.126 . . . . 0.0 111.025 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.445 HD21 ' CB ' ' A' ' 65' ' ' ASP . 0.5 OUTLIER -97.27 161.65 13.71 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 0.761 . . . . 0.0 109.34 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.414 ' CD2' ' HE1' ' A' ' 62' ' ' MET . 8.3 mt -97.62 145.1 26.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.521 ' CD2' ' OD2' ' A' ' 63' ' ' ASP . 4.7 p90 -148.63 167.6 25.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.991 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -87.9 124.95 7.37 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.54 1.15 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.4 p -86.04 135.54 33.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 0.0 110.012 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.39 -26.82 46.64 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.58 1.175 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.4 p -135.41 159.41 71.79 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 110.378 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 108.19 2.66 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.502 1.79 . . . . 0.0 111.029 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -127.19 154.32 44.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -45.05 -29.87 0.96 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 110.304 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -57.41 -34.29 68.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.269 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 58.4 m -73.34 -20.13 60.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 108.279 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.627 HD12 ' CD2' ' A' ' 50' ' ' TYR . 2.3 tp -87.15 120.8 28.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -117.27 164.87 14.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.412 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 0.3 OUTLIER -103.79 126.03 50.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -108.75 149.95 28.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 110.329 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.04 164.47 34.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 110.298 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.22 105.84 17.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.601 ' OE2' ' CE1' ' A' ' 120' ' ' TYR . 3.9 mm-40 -98.07 161.38 13.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -59.4 -178.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 31.7 m-20 62.64 13.91 6.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.335 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 56.36 57.82 4.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.584 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.565 ' CD2' ' HB3' ' A' ' 126' ' ' LEU . 3.7 m-85 -137.91 156.42 47.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -112.46 156.02 23.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.453 ' CG2' ' HG3' ' A' ' 85' ' ' GLU . 76.4 p -129.3 170.58 13.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.395 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.519 ' CE2' HD12 ' A' ' 9' ' ' LEU . 45.0 m-85 -149.41 133.21 16.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.573 HD11 ' CE2' ' A' ' 103' ' ' PHE . 55.5 mt -131.31 147.86 32.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.8 t -71.55 138.51 48.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.047 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.417 ' C ' ' N ' ' A' ' 97' ' ' HIS . 2.3 tttt -73.39 -58.3 3.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -42.21 -28.44 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.263 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.613 ' CE1' ' CZ3' ' A' ' 102' ' ' TRP . 27.5 m-70 -102.42 -89.0 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.113 . . . . 0.0 109.596 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 67.53 -68.84 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 97' ' ' HIS . 2.2 mt-10 -54.79 -24.58 23.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.565 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 10.9 mttt -77.41 -11.41 59.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 49.13 64.18 1.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.33 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.613 ' CZ3' ' CE1' ' A' ' 97' ' ' HIS . 49.3 m0 -112.64 132.74 55.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 107.993 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.573 ' CE2' HD11 ' A' ' 93' ' ' ILE . 65.0 m-85 -113.84 148.89 35.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.497 ' O ' ' C ' ' A' ' 105' ' ' GLY . 36.2 t -69.93 -24.98 27.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.534 ' HA2' ' CE1' ' A' ' 127' ' ' PHE . . . -30.02 142.55 0.02 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.517 1.135 . . . . 0.0 110.969 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.467 HD23 ' CD1' ' A' ' 18' ' ' LEU . 0.7 OUTLIER -106.77 159.27 16.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 0.76 . . . . 0.0 109.334 179.935 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 111' ' ' SER . 4.6 mtpt -68.38 -171.98 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.65 -9.19 23.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.261 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -90.72 21.68 3.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 63.02 41.28 99.91 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.447 1.092 . . . . 0.0 111.003 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 107' ' ' LYS . 0.7 OUTLIER -138.07 160.86 38.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.774 . . . . 0.0 110.021 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 28.0 p -75.64 135.26 40.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 108.245 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 114' ' ' ARG . 6.6 tttt -90.48 112.93 24.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 113' ' ' LYS . 1.8 mpp_? -37.0 138.8 0.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.32 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.496 ' C ' ' H ' ' A' ' 117' ' ' ARG . . . -50.96 -55.93 16.34 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.515 1.134 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.419 ' CD ' ' N ' ' A' ' 115' ' ' GLY . 18.3 Cg_endo -74.96 32.16 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.498 1.789 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.496 ' H ' ' C ' ' A' ' 115' ' ' GLY . 5.7 mmt180 -142.42 22.39 2.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.341 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.422 ' CG2' ' HD3' ' A' ' 113' ' ' LYS . 6.0 p -118.72 167.2 11.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.368 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -151.66 169.47 22.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.624 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.601 ' CE1' ' OE2' ' A' ' 85' ' ' GLU . 0.2 OUTLIER -89.84 128.47 36.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 111.041 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 100.26 26.69 8.13 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.485 1.115 . . . . 0.0 110.999 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -112.6 135.74 52.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.765 . . . . 0.0 110.257 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.45 ' CD ' ' HB2' ' A' ' 12' ' ' SER . 0.1 OUTLIER -55.29 -19.59 8.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.01 -63.47 1.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.117 . . . . 0.0 109.271 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.525 HG21 ' CG ' ' A' ' 103' ' ' PHE . 1.3 pt -57.55 -37.46 58.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.565 ' HB3' ' CD2' ' A' ' 89' ' ' TYR . 54.2 mt -59.93 102.71 0.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.534 ' CE1' ' HA2' ' A' ' 105' ' ' GLY . 2.4 m-30 -115.22 152.47 32.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 111.024 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.509 ' O ' ' CD2' ' A' ' 130' ' ' LEU . 5.4 tp -128.97 121.17 20.66 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 116.87 4.72 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.483 1.78 . . . . 0.0 111.058 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.509 ' CD2' ' O ' ' A' ' 128' ' ' LEU . 3.5 mm? -96.79 141.33 22.92 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 126.57 10.09 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.451 1.764 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -134.99 150.3 29.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 3.0 t 64.26 86.03 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.994 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.07 178.82 0.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.943 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -159.1 142.08 14.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -114.05 139.13 49.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.337 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -143.51 108.87 5.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 110.337 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -54.84 162.1 1.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.606 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -177.93 151.1 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.165 . . . . 0.0 109.574 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . 0.447 ' HE2' ' CE1' ' A' ' 142' ' ' HIS . 0.4 OUTLIER -123.92 141.64 51.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.634 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -125.75 -63.68 1.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.599 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . 0.447 ' CE1' ' HE2' ' A' ' 140' ' ' HIS . 4.5 p-80 -67.1 156.21 36.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.593 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 7.2 p-80 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.622 179.959 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 mmt . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.491 0.186 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -159.6 147.92 17.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -165.37 89.86 0.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.43 171.37 10.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.4 tttm -139.81 78.02 26.07 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 174.1 13.37 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.492 1.785 . . . . 0.0 111.036 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.76 155.97 43.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.567 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 0.4 OUTLIER -103.38 140.25 37.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.338 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.516 HD13 ' CD2' ' A' ' 127' ' ' PHE . 0.2 OUTLIER -91.55 104.46 16.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -83.59 120.01 25.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.992 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 15' ' ' GLY . 0.5 OUTLIER -106.14 78.76 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 108.305 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.457 ' HB3' ' CG ' ' A' ' 123' ' ' LYS . 4.2 t -38.46 -38.03 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.001 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.427 ' N ' ' HG2' ' A' ' 123' ' ' LYS . 53.3 t30 -40.24 -33.04 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.31 -45.47 0.06 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.55 1.156 . . . . 0.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.449 ' C ' ' ND1' ' A' ' 16' ' ' HIS . . . 103.62 63.38 0.69 Allowed Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.449 ' ND1' ' C ' ' A' ' 15' ' ' GLY . 2.4 m80 -143.77 156.02 44.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 0.754 . . . . 0.0 109.58 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.567 ' CD1' ' HB3' ' A' ' 8' ' ' LEU . 20.8 m-85 -103.85 143.47 32.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 110.962 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.2 tp -77.31 125.43 29.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.43 ' HB3' ' CG2' ' A' ' 37' ' ' ILE . 2.2 ptm180 -129.17 155.28 45.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.305 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 54.6 mt -124.47 113.94 38.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.478 HD12 ' CG2' ' A' ' 25' ' ' THR . 27.0 mt -72.43 156.89 89.92 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.403 ' CA ' HG21 ' A' ' 56' ' ' THR . 18.4 Cg_endo -74.93 -5.06 16.32 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.49 1.784 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.5 -15.71 26.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.12 44.07 1.95 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.533 1.146 . . . . 0.0 110.961 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.478 ' CG2' HD12 ' A' ' 21' ' ' LEU . 3.8 m -124.76 147.9 48.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.407 0.71 . . . . 0.0 110.39 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.3 t -129.27 118.79 47.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -147.98 161.35 41.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -84.48 147.37 23.15 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.46 1.1 . . . . 0.0 110.974 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.47 ' CG2' ' CG2' ' A' ' 37' ' ' ILE . 2.9 t -151.66 141.66 22.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 0.739 . . . . 0.0 110.452 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.439 ' HG2' ' CD2' ' A' ' 16' ' ' HIS . 0.6 OUTLIER -127.97 33.92 4.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 33' ' ' SER . 9.3 t0 -93.03 -14.41 27.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.464 ' O ' ' C ' ' A' ' 33' ' ' SER . 8.1 mtm180 65.9 -60.99 0.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.517 ' N ' ' O ' ' A' ' 31' ' ' ASP . 0.1 OUTLIER -34.52 -38.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.002 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 32' ' ' ARG . 0.2 OUTLIER -44.78 143.84 1.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -106.9 -29.71 9.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.28 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -63.88 -23.16 67.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.578 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.47 ' CG2' ' CG2' ' A' ' 29' ' ' THR . 39.7 pt -66.93 -29.53 46.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -67.51 82.98 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.32 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 39.7 mt -96.6 146.95 24.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.35 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.463 ' HG2' ' CG2' ' A' ' 54' ' ' THR . 0.0 OUTLIER -105.21 114.61 28.91 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.472 1.108 . . . . 0.0 110.257 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.21 136.43 33.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.6 m -135.3 161.34 35.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.967 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -117.29 126.92 53.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.454 ' HG2' ' OG ' ' A' ' 45' ' ' SER . 0.3 OUTLIER -107.97 -45.18 4.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.291 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.454 ' OG ' ' HG2' ' A' ' 44' ' ' GLU . 0.9 OUTLIER -128.67 168.16 16.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.01 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.1 t -60.8 123.38 13.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.35 9.14 72.39 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.486 1.116 . . . . 0.0 111.018 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -114.41 134.77 54.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 0.778 . . . . 0.0 110.275 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.7 m -137.18 148.62 26.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -117.09 131.61 56.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 12.5 mt -108.35 120.99 60.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.482 ' HB2' ' CD1' ' A' ' 59' ' ' TYR . 10.2 tttt -136.58 146.5 46.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.0 t -83.39 132.33 34.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.009 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.463 ' CG2' ' HG2' ' A' ' 40' ' ' GLN . 48.1 p -83.57 -17.76 40.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.382 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -81.78 -76.33 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.417 ' OG1' ' N ' ' A' ' 57' ' ' GLY . 37.5 p -67.22 -63.86 0.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.373 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.417 ' N ' ' OG1' ' A' ' 56' ' ' THR . . . 133.05 -20.98 4.2 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.36 -175.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 0.75 . . . . 0.0 110.329 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.482 ' CD1' ' HB2' ' A' ' 52' ' ' LYS . 97.6 m-85 -131.48 173.12 11.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.994 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.6 tp -105.43 113.57 27.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.512 ' HB2' ' CZ ' ' A' ' 69' ' ' TYR . . . -137.79 147.67 44.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.593 ' O ' ' CE1' ' A' ' 97' ' ' HIS . 46.3 ttm -106.0 116.7 32.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 110.959 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.31 -165.52 0.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 72.0 p -78.96 -21.75 46.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.373 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.81 -14.84 63.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.64 -15.1 61.17 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.504 1.127 . . . . 0.0 110.99 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.2 mp -85.11 163.7 18.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 0.0 109.261 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.465 ' CD1' HG11 ' A' ' 104' ' ' VAL . 13.5 mt -98.07 145.6 26.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.348 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.512 ' CZ ' ' HB2' ' A' ' 61' ' ' ALA . 5.4 p90 -140.35 161.14 38.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -80.29 112.28 3.43 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.559 1.162 . . . . 0.0 111.03 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.45 116.86 28.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 0.769 . . . . 0.0 110.013 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.09 -57.87 8.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 110.336 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.3 p -106.13 157.56 34.55 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.434 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 120.74 6.2 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.502 1.79 . . . . 0.0 111.029 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 78' ' ' CYS . 54.2 p30 -127.27 159.26 34.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 109.341 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -49.29 -23.83 1.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.298 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -71.68 -20.87 61.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.321 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.451 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 49.8 m -83.61 -14.84 51.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 108.32 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.2 tp -83.28 127.66 33.83 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.559 1.162 . . . . 0.0 109.324 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -128.93 164.87 22.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.153 . . . . 0.0 111.018 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.473 ' CD2' ' N ' ' A' ' 81' ' ' LEU . 0.1 OUTLIER -103.62 125.74 50.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.492 ' HG3' ' CE1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -107.55 146.26 32.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.72 161.28 42.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 110.323 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -92.41 134.44 34.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.491 ' OE2' ' CG2' ' A' ' 91' ' ' THR . 8.5 mt-10 -127.06 165.46 19.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -60.8 179.91 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.087 . . . . 0.0 110.301 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.554 ' HB3' ' CD2' ' A' ' 89' ' ' TYR . 30.5 m-20 61.2 16.03 6.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 55.76 54.05 8.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.555 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.554 ' CD2' ' HB3' ' A' ' 87' ' ' ASN . 8.7 m-85 -130.79 170.07 14.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.983 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -120.36 170.03 9.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.491 ' CG2' ' OE2' ' A' ' 85' ' ' GLU . 1.1 p -144.11 141.52 30.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 110.391 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.492 ' CE1' ' HG3' ' A' ' 82' ' ' GLU . 91.0 m-85 -132.27 132.44 43.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.581 HD12 ' CE1' ' A' ' 103' ' ' PHE . 17.4 mt -130.36 143.82 39.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 98' ' ' ALA . 0.1 OUTLIER -70.13 137.78 51.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 110.027 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.76 -67.79 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.594 ' HB3' ' CD2' ' A' ' 97' ' ' HIS . 19.4 tttt -52.29 -25.18 8.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.594 ' CD2' ' HB3' ' A' ' 96' ' ' LYS . 0.1 OUTLIER -122.0 44.96 2.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.575 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 94' ' ' SER . . . -91.49 -47.22 7.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.345 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -57.46 -26.21 60.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.303 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.512 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 0.0 OUTLIER -78.46 -2.3 37.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.358 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 48.19 65.56 1.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.524 ' CD1' ' HA ' ' A' ' 116' ' ' PRO . 49.2 m0 -111.37 131.77 54.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 107.98 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.581 ' CE1' HD12 ' A' ' 93' ' ' ILE . 97.2 m-85 -110.77 148.84 31.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.465 HG11 ' CD1' ' A' ' 68' ' ' LEU . 69.1 t -65.01 -92.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.346 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.431 ' N ' HG13 ' A' ' 104' ' ' VAL . . . 52.89 169.79 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.488 1.117 . . . . 0.0 111.018 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.446 ' CD2' ' HA ' ' A' ' 112' ' ' CYS . 71.1 mt -138.08 159.67 41.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 0.761 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.01 -177.11 6.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.45 -14.91 51.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -86.87 -3.91 59.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.334 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 82.75 42.77 8.1 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.492 1.12 . . . . 0.0 111.04 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -136.96 151.74 49.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 0.766 . . . . 0.0 109.993 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . 0.446 ' HA ' ' CD2' ' A' ' 106' ' ' LEU . 7.4 m -66.3 135.94 55.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 108.291 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 114' ' ' ARG . 0.0 OUTLIER -89.55 130.78 35.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.283 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.449 ' C ' ' O ' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -34.74 128.9 0.45 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 110.333 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.59 ' N ' ' CD ' ' A' ' 116' ' ' PRO . . . -59.36 -45.85 94.8 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.562 1.164 . . . . 0.0 110.987 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' A' ' 115' ' ' GLY . 18.2 Cg_endo -75.01 7.14 3.0 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.552 1.817 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 8.2 mmt180 -125.6 47.07 2.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.296 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.412 HG21 ' CE ' ' A' ' 113' ' ' LYS . 4.1 p -125.32 168.56 13.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.349 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.423 ' HB2' ' NE2' ' A' ' 122' ' ' GLN . 52.9 m80 -144.74 160.31 41.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.553 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -90.4 133.06 35.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 97.93 11.11 50.88 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.531 1.144 . . . . 0.0 110.973 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.423 ' NE2' ' HB2' ' A' ' 119' ' ' HIS . 15.8 mt-30 -91.68 150.17 21.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 0.768 . . . . 0.0 110.275 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.457 ' CG ' ' HB3' ' A' ' 12' ' ' SER . 1.3 ttpt -74.03 -8.8 57.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.424 1.078 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.408 ' HB2' ' ND2' ' A' ' 13' ' ' ASN . . . -77.51 -62.7 1.58 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.505 HG21 ' CG ' ' A' ' 103' ' ' PHE . 6.5 pt -53.62 -39.49 38.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 92.8 mt -63.12 130.87 46.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 109.333 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.516 ' CD2' HD13 ' A' ' 9' ' ' LEU . 0.5 OUTLIER -132.38 155.44 48.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.986 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.513 ' O ' ' CD2' ' A' ' 130' ' ' LEU . 0.4 OUTLIER -131.85 114.06 15.22 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . 0.413 ' HD2' ' CD2' ' A' ' 128' ' ' LEU . 18.2 Cg_endo -75.03 115.69 4.36 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.528 1.804 . . . . 0.0 111.001 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.513 ' CD2' ' O ' ' A' ' 128' ' ' LEU . 3.4 mm? -92.93 141.47 24.23 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 109.287 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 109.74 2.99 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.497 1.788 . . . . 0.0 110.959 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.482 ' HB ' ' CD2' ' A' ' 8' ' ' LEU . 5.1 p -118.24 142.11 34.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 12.3 t 62.5 135.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.008 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.86 175.06 0.17 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 109.965 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' ' 136' ' ' LEU . 0.3 OUTLIER -119.02 -50.52 2.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.526 HD23 ' CD2' ' A' ' 139' ' ' HIS . 0.1 OUTLIER 46.41 -171.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.439 ' CB ' ' O ' ' A' ' 136' ' ' LEU . 2.1 mt-10 165.19 95.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.304 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 3.0 t60 62.09 127.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.592 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . 0.526 ' CD2' HD23 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -142.61 -77.54 0.25 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.618 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 22.1 t60 49.76 97.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.599 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.0 168.21 4.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.624 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -67.06 117.04 8.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 109.635 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.632 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.513 0.197 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 51.3 p-10 -137.41 158.32 44.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -123.4 127.28 48.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -69.12 131.94 45.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.4 mttm -157.67 162.95 26.28 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 154.84 42.86 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.539 1.81 . . . . 0.0 110.984 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.33 158.86 43.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.8 mt -108.07 141.53 39.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -91.93 113.35 25.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.582 1.176 . . . . 0.0 109.314 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.47 ' CE1' ' HA2' ' A' ' 15' ' ' GLY . 86.7 t80 -98.83 115.82 29.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 111.016 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 13' ' ' ASN . 12.7 t -88.92 88.52 7.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 108.28 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 11' ' ' CYS . 37.5 p -37.67 -31.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.984 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 11' ' ' CYS . 9.2 t-20 -43.95 -55.44 4.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.468 ' CA ' ' HG3' ' A' ' 108' ' ' LYS . . . -120.15 -33.51 1.04 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.504 1.128 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.47 ' HA2' ' CE1' ' A' ' 10' ' ' TYR . . . 93.89 57.23 1.33 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -123.77 164.87 18.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 0.752 . . . . 0.0 109.576 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -107.77 142.21 38.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 111.012 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.443 ' CD1' HD13 ' A' ' 106' ' ' LEU . 10.9 tp -78.46 112.25 15.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.436 ' HB3' ' CG2' ' A' ' 37' ' ' ILE . 5.3 ptm180 -115.84 149.74 38.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.312 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.8 mt -125.15 117.53 50.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.466 HD12 ' CG2' ' A' ' 25' ' ' THR . 20.1 mt -83.34 156.06 66.17 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.424 ' CB ' HG22 ' A' ' 56' ' ' THR . 18.1 Cg_endo -75.04 -2.34 12.42 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.501 1.79 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -95.61 2.79 54.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.36 45.12 8.25 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.523 1.14 . . . . 0.0 110.964 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.466 ' CG2' HD12 ' A' ' 21' ' ' LEU . 3.1 m -124.68 147.73 48.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 0.775 . . . . 0.0 110.353 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.1 t -132.35 119.75 40.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -145.79 161.08 40.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.72 136.68 13.0 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.504 1.128 . . . . 0.0 110.977 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.4 t -139.42 139.91 37.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 0.745 . . . . 0.0 110.425 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.6 ttt-85 -110.81 47.81 0.96 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.284 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -136.47 99.38 4.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.337 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.8 mtm180 -52.05 -28.54 17.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.31 -48.8 3.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.009 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.79 145.32 41.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' A' ' 38' ' ' GLN . 6.0 mm100 -106.14 -40.19 5.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.264 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.514 ' CD2' ' HG2' ' A' ' 55' ' ' GLU . 41.9 m80 -46.22 -28.8 1.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.604 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.436 ' CG2' ' HB3' ' A' ' 19' ' ' ARG . 13.9 pt -57.73 -40.6 76.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 35' ' ' GLN . 27.5 mt-30 -46.26 101.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.412 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 17.4 mt -106.72 147.45 29.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.456 ' HB2' ' CG2' ' A' ' 54' ' ' THR . 0.0 OUTLIER -105.14 115.12 29.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 110.313 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.8 mp -100.53 136.28 40.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.142 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 36.5 t -141.34 162.94 34.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 110.01 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -118.95 125.96 50.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.404 ' HG2' ' OG ' ' A' ' 45' ' ' SER . 0.4 OUTLIER -110.47 -40.81 4.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 110.3 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.404 ' OG ' ' HG2' ' A' ' 44' ' ' GLU . 0.8 OUTLIER -127.59 166.46 17.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.985 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 74.7 t -64.1 118.91 7.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.69 7.3 87.28 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.121 . . . . 0.0 110.997 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -115.28 135.36 54.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 0.777 . . . . 0.0 110.311 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 20.7 m -133.19 153.08 36.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -118.77 132.2 56.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 16.8 mt -113.27 122.09 66.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 26.6 ttpt -138.8 145.89 40.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.412 ' HA ' ' CD2' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -78.7 136.22 37.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.578 1.174 . . . . 0.0 110.025 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.456 ' CG2' ' HB2' ' A' ' 40' ' ' GLN . 61.6 p -91.46 -7.98 49.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 110.388 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.514 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.8 OUTLIER -94.59 -77.47 0.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.289 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.424 HG22 ' CB ' ' A' ' 22' ' ' PRO . 35.1 p -62.75 -61.8 2.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.407 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 118.46 43.05 0.56 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -120.22 162.9 18.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 0.756 . . . . 0.0 110.321 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -108.31 139.07 43.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.8 tp -77.37 115.92 17.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -135.89 154.82 51.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 29.6 tpp -103.55 136.33 43.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 111.048 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.431 ' OD1' ' N ' ' A' ' 67' ' ' LEU . 0.9 OUTLIER -92.58 173.23 7.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 109.331 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 69.9 p -65.04 -22.22 66.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.359 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.461 ' HB3' ' CD1' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -74.68 -3.82 33.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.81 5.61 89.39 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.471 1.107 . . . . 0.0 111.03 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' A' ' 65' ' ' ASP . 4.0 mp -91.71 168.06 11.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 0.788 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 34.5 mt -108.01 138.61 43.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.554 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 2.9 p90 -148.31 161.02 42.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.989 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -91.01 125.67 8.09 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.434 1.084 . . . . 0.0 111.018 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.6 t -91.76 139.67 30.45 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.46 0.741 . . . . 0.0 109.987 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.7 -37.27 85.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.256 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.9 p -124.55 160.36 53.67 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 110.421 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 105.13 2.02 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.504 1.791 . . . . 0.0 111.024 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -115.16 157.16 24.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.351 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.57 -32.1 5.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.276 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -59.31 -26.37 64.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.324 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 51.9 m -80.2 -16.39 54.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 108.298 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.4 tp -85.32 120.86 27.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.227 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -118.45 165.23 14.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 111.036 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.8 mt -103.66 120.58 41.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -109.31 145.95 35.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.081 . . . . 0.0 110.335 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.09 156.36 32.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 110.317 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.8 tt -92.68 120.12 32.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.488 ' OE1' ' CD2' ' A' ' 126' ' ' LEU . 0.0 OUTLIER -106.15 156.05 18.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.516 ' O ' ' CB ' ' A' ' 87' ' ' ASN . 32.8 mt-10 -65.66 97.44 0.32 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.457 1.098 . . . . 0.0 110.265 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.516 ' CB ' ' O ' ' A' ' 86' ' ' GLU . 0.7 OUTLIER 153.98 41.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.337 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.516 ' C ' ' O ' ' A' ' 87' ' ' ASN . 15.2 t-80 30.6 46.92 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.57 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.444 ' CD2' ' O ' ' A' ' 87' ' ' ASN . 3.7 m-85 -145.25 163.44 34.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 111.036 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -123.4 159.25 29.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.2 p -130.41 158.19 40.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.379 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -136.92 133.86 36.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 111.034 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.578 HD13 ' CE1' ' A' ' 103' ' ' PHE . 62.0 mt -135.79 152.38 30.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.03 139.02 46.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.987 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 23.4 tttt -70.23 -58.23 4.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.494 ' HB3' ' CD2' ' A' ' 97' ' ' HIS . 4.2 mttt -56.44 -25.48 50.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.531 ' CD2' ' N ' ' A' ' 97' ' ' HIS . 0.3 OUTLIER -123.74 50.93 1.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.605 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -83.63 -38.25 21.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.336 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -74.62 -17.06 60.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.511 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 33.5 mttt -78.52 -6.98 56.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.148 . . . . 0.0 109.261 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 48.56 64.05 1.84 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.511 ' CD1' ' O ' ' A' ' 100' ' ' LYS . 47.1 m0 -112.42 131.8 55.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 108.006 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.578 ' CE1' HD13 ' A' ' 93' ' ' ILE . 98.2 m-85 -114.49 148.75 37.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.959 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.442 ' O ' ' O ' ' A' ' 105' ' ' GLY . 88.9 t -66.83 -79.21 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' A' ' 104' ' ' VAL . . . 53.22 166.17 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.121 . . . . 0.0 111.0 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.443 HD13 ' CD1' ' A' ' 18' ' ' LEU . 42.8 mt -139.29 135.06 33.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 0.772 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.566 ' N ' ' O ' ' A' ' 111' ' ' SER . 0.0 OUTLIER -67.63 149.26 50.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.573 1.171 . . . . 0.0 109.303 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.468 ' HG3' ' CA ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER -65.53 -9.76 29.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -84.97 -3.07 58.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 85.82 39.09 8.28 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.448 1.093 . . . . 0.0 110.969 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.566 ' O ' ' N ' ' A' ' 107' ' ' LYS . 74.4 m -136.04 168.03 20.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 0.763 . . . . 0.0 110.038 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 23.0 p -83.03 135.69 34.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 108.256 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.6 124.61 34.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.41 152.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.325 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.475 ' C ' ' H ' ' A' ' 117' ' ' ARG . . . -72.36 -55.7 6.71 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.504 1.128 . . . . 0.0 110.971 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.423 ' HB3' ' NE1' ' A' ' 102' ' ' TRP . 18.1 Cg_endo -75.03 36.48 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.521 1.801 . . . . 0.0 111.03 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.475 ' H ' ' C ' ' A' ' 115' ' ' GLY . 2.6 mmt-85 -142.6 18.04 2.01 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.485 ' CB ' ' HB2' ' A' ' 103' ' ' PHE . 1.7 p -118.54 166.9 12.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 110.392 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -169.53 166.63 10.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.575 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -73.09 133.64 44.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 110.946 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 118.71 -25.79 7.88 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -76.34 149.24 37.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 110.317 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 18.7 tttt -93.01 26.5 2.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -100.86 -47.68 4.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 8.2 pt -58.7 -36.88 62.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.28 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.488 ' CD2' ' OE1' ' A' ' 85' ' ' GLU . 50.3 mt -55.11 127.49 29.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -138.32 146.27 42.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 111.05 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 6.1 tp -133.02 114.88 14.0 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 109.49 2.94 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.49 1.784 . . . . 0.0 111.023 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.406 ' HA ' ' HD3' ' A' ' 131' ' ' PRO . 2.9 mm? -91.38 132.8 32.75 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 130' ' ' LEU . 18.3 Cg_endo -75.03 104.42 1.9 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.499 1.789 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 8.1 p -82.02 -7.1 10.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -160.39 149.69 17.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.978 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 49.3 p 59.81 -175.75 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.985 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 163.85 -30.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.261 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.424 ' C ' HD22 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -91.06 -169.48 2.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -139.66 143.14 37.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 110.298 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -109.4 124.82 51.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.608 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -93.38 127.81 39.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.561 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 33.8 t-80 -131.58 154.9 48.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.586 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -157.13 155.46 31.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.622 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . 0.448 ' CG ' ' N ' ' A' ' 143' ' ' HIS . 52.4 t60 -117.83 162.2 18.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.606 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . 0.448 ' N ' ' CG ' ' A' ' 142' ' ' HIS . 7.2 t-80 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 109.58 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.892 0 N-CA-C 111.043 -0.406 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.588 ' HG2' HD13 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -140.22 170.27 16.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.467 ' O ' ' HA ' ' A' ' 129' ' ' PRO . 0.3 OUTLIER -118.03 149.32 41.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.337 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.47 HD11 HD13 ' A' ' 51' ' ' ILE . 24.9 mt -91.66 104.29 16.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.518 ' HB2' HD23 ' A' ' 130' ' ' LEU . 62.1 t80 -86.75 148.13 25.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 111.042 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.468 ' O ' ' C ' ' A' ' 12' ' ' SER . 44.2 t -128.3 78.31 1.83 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 108.301 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.468 ' C ' ' O ' ' A' ' 11' ' ' CYS . 2.5 p -34.44 -37.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.018 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 11' ' ' CYS . 13.2 t30 -40.2 -52.0 2.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.356 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -121.89 -37.02 0.68 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.474 1.109 . . . . 0.0 110.971 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.453 ' C ' ' ND1' ' A' ' 16' ' ' HIS . . . 93.67 77.77 1.38 Allowed Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.453 ' ND1' ' C ' ' A' ' 15' ' ' GLY . 47.9 m80 -154.15 160.86 42.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 0.789 . . . . 0.0 109.63 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.463 ' CE2' HD13 ' A' ' 8' ' ' LEU . 20.3 m-85 -101.81 139.79 36.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 111.015 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.791 ' CD1' HD21 ' A' ' 106' ' ' LEU . 8.6 tp -79.49 120.5 23.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.35 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.881 ' HB3' HG22 ' A' ' 37' ' ' ILE . 5.2 ptm180 -118.28 154.64 31.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 110.293 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.592 ' O ' ' CE1' ' A' ' 36' ' ' HIS . 4.5 mt -124.73 127.32 72.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.498 HD12 ' HB ' ' A' ' 25' ' ' THR . 18.6 mt -94.84 157.41 36.83 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.253 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.408 ' HB3' ' CG2' ' A' ' 56' ' ' THR . 18.4 Cg_endo -74.99 0.28 9.1 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.509 1.794 . . . . 0.0 111.013 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -98.49 5.19 48.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.5 45.61 10.88 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.481 1.113 . . . . 0.0 111.021 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.498 ' HB ' HD12 ' A' ' 21' ' ' LEU . 2.3 m -125.7 147.66 49.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 0.787 . . . . 0.0 110.376 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.2 t -133.94 120.88 37.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.339 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -146.8 162.27 38.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -90.77 159.44 26.84 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.426 ' N ' ' HB3' ' A' ' 16' ' ' HIS . 2.5 t -170.92 137.16 1.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 0.782 . . . . 0.0 110.424 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.0 42.04 1.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.35 94.66 4.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.453 ' HA ' HD11 ' A' ' 37' ' ' ILE . 0.8 OUTLIER -49.81 -31.96 12.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.122 . . . . 0.0 110.242 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.0 t -52.02 -39.6 59.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.029 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.53 ' CG ' HG23 ' A' ' 37' ' ' ILE . 50.7 t0 -43.5 119.92 1.78 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -93.82 73.78 4.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 110.281 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.619 ' NE2' HG23 ' A' ' 56' ' ' THR . 1.1 t-80 -178.79 -40.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.57 1.169 . . . . 0.0 109.568 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.881 HG22 ' HB3' ' A' ' 19' ' ' ARG . 28.3 pt -46.23 -25.86 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.418 ' HG2' HG11 ' A' ' 132' ' ' VAL . 51.9 mt-30 -64.36 100.5 0.36 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 55.0 mt -111.77 147.41 35.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.472 ' HB2' ' CG2' ' A' ' 54' ' ' THR . 0.5 OUTLIER -105.33 114.61 28.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 110.304 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.588 HD13 ' HG2' ' A' ' 7' ' ' LYS . 4.3 mp -92.77 135.64 33.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.249 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.418 ' O ' ' HA ' ' A' ' 49' ' ' VAL . 6.1 m -138.21 155.64 48.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.566 1.166 . . . . 0.0 109.993 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -109.4 125.54 52.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.451 ' HG2' ' OG ' ' A' ' 45' ' ' SER . 0.4 OUTLIER -107.24 -44.68 4.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.312 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.451 ' OG ' ' HG2' ' A' ' 44' ' ' GLU . 0.7 OUTLIER -128.34 167.23 17.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.976 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.7 p -60.02 122.29 9.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.81 21.37 76.57 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.779 ' HB3' HD11 ' A' ' 79' ' ' LEU . 7.8 mt-10 -125.06 137.08 54.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 0.766 . . . . 0.0 110.289 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.499 ' O ' HD12 ' A' ' 79' ' ' LEU . 32.6 m -135.21 151.26 30.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.257 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.516 ' CZ ' ' HB2' ' A' ' 79' ' ' LEU . 0.6 OUTLIER -116.51 132.47 56.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.47 HD13 HD11 ' A' ' 9' ' ' LEU . 11.1 mt -117.71 116.86 53.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.548 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -141.38 152.96 44.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.422 ' OG ' ' CE1' ' A' ' 36' ' ' HIS . 0.1 OUTLIER -84.34 136.89 33.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 110.012 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.472 ' CG2' ' HB2' ' A' ' 40' ' ' GLN . 20.9 p -100.91 11.24 39.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.423 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -103.28 -54.83 2.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.306 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.619 HG23 ' NE2' ' A' ' 36' ' ' HIS . 12.7 p -92.57 -51.45 5.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.384 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 117.48 35.57 1.07 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.451 1.094 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -112.13 156.15 22.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 0.755 . . . . 0.0 110.315 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.548 ' CD1' ' HG2' ' A' ' 52' ' ' LYS . 2.6 m-30 -107.02 139.87 40.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 111.031 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.48 HD11 HD21 ' A' ' 18' ' ' LEU . 5.0 tp -77.48 113.21 15.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.085 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.498 ' HB2' ' SG ' ' A' ' 78' ' ' CYS . . . -136.34 152.1 50.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 42.7 ttm -107.92 115.98 31.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 111.059 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.94 -163.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 69.2 p -84.36 -18.15 37.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.442 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -75.66 -9.23 58.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.436 ' HA3' ' CD ' ' A' ' 116' ' ' PRO . . . 87.93 -14.38 58.88 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.423 ' CD1' ' HG3' ' A' ' 114' ' ' ARG . 2.4 mp -77.76 158.69 29.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 0.779 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.646 HD11 HG13 ' A' ' 104' ' ' VAL . 5.7 mt -95.91 144.68 26.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.565 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 1.9 p90 -154.38 160.91 41.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -87.37 121.75 5.95 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.5 t -86.74 139.47 30.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 0.74 . . . . 0.0 110.057 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -69.83 -33.88 72.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.312 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.6 p -123.96 159.49 56.16 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.433 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 112.02 3.46 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.48 1.779 . . . . 0.0 110.984 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -126.79 152.92 46.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -47.64 -25.82 1.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -63.13 -30.15 71.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.309 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.498 ' SG ' ' HB2' ' A' ' 61' ' ' ALA . 58.2 m -76.32 -23.04 54.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 108.315 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.779 HD11 ' HB3' ' A' ' 48' ' ' GLU . 23.1 tp -87.78 131.42 34.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 0.0 109.257 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.484 ' C ' HD13 ' A' ' 81' ' ' LEU . 10.0 m-85 -126.37 164.64 20.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 111.02 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.883 HD22 ' O ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -104.04 126.39 51.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.253 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.09 140.87 42.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.331 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.58 166.59 24.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 0.0 110.324 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.403 HD22 ' HA ' ' A' ' 84' ' ' LEU . 1.5 tm? -98.49 108.89 21.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -99.75 161.0 13.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 110.3 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 87' ' ' ASN . 2.9 mt-10 -62.75 169.44 3.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.278 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 86' ' ' GLU . 2.1 t30 81.5 -2.94 1.65 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 72.96 54.86 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.576 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.585 ' HB2' HD22 ' A' ' 126' ' ' LEU . 3.9 m-85 -143.56 151.6 40.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 111.028 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -105.31 153.89 21.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.415 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 4.0 p -125.37 169.05 12.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.436 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.415 ' CD1' ' O ' ' A' ' 91' ' ' THR . 37.3 m-85 -146.35 133.11 20.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 111.027 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.883 ' O ' HD22 ' A' ' 81' ' ' LEU . 57.1 mt -131.29 138.77 52.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.0 t -68.5 138.33 55.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.999 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.473 ' HG3' HD11 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -64.86 -74.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.496 ' HB3' ' CD2' ' A' ' 97' ' ' HIS . 0.8 OUTLIER -42.8 -28.48 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.541 ' CD2' ' N ' ' A' ' 97' ' ' HIS . 0.3 OUTLIER -124.37 58.84 1.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 109.605 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.426 ' HA ' ' CG2' ' A' ' 93' ' ' ILE . . . -92.26 -45.01 8.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -66.7 -14.91 63.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.28 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.583 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 11.5 mttt -79.21 -5.55 54.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 49.52 63.94 1.96 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.583 ' CD1' ' O ' ' A' ' 100' ' ' LYS . 49.9 m0 -113.06 132.06 55.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 108.013 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.565 ' CE2' HD11 ' A' ' 93' ' ' ILE . 81.7 m-85 -118.16 148.74 42.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.646 HG13 HD11 ' A' ' 68' ' ' LEU . 43.1 t -88.31 94.69 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.269 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.425 ' HA2' ' CE1' ' A' ' 127' ' ' PHE . . . -132.29 169.39 22.24 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.453 1.096 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.984 HD23 ' HA ' ' A' ' 112' ' ' CYS . 1.2 mt -132.73 159.82 38.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 0.772 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 10.0 mttm -84.73 -171.9 3.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.259 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.69 -16.85 43.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.122 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -88.09 6.19 37.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.458 1.099 . . . . 0.0 109.245 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 73.72 38.22 50.62 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.506 1.129 . . . . 0.0 110.967 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.411 ' O ' ' HA ' ' A' ' 106' ' ' LEU . 6.9 m -116.14 147.43 41.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 0.77 . . . . 0.0 110.0 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' CYS . . . . . 0.984 ' HA ' HD23 ' A' ' 106' ' ' LEU . 25.6 p -66.76 135.16 53.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 108.302 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.496 ' HD3' HG22 ' A' ' 118' ' ' THR . 12.5 tttp -90.3 115.52 27.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.437 ' CB ' ' HG3' ' A' ' 117' ' ' ARG . 2.7 mpp_? -36.97 141.24 0.13 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 0.0 110.266 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.464 ' C ' ' H ' ' A' ' 117' ' ' ARG . . . -57.97 -57.54 19.3 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.495 1.122 . . . . 0.0 110.961 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.436 ' CD ' ' HA3' ' A' ' 66' ' ' GLY . 18.3 Cg_endo -74.97 39.99 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.534 1.807 . . . . 0.0 111.042 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.464 ' H ' ' C ' ' A' ' 115' ' ' GLY . 2.5 mmt-85 -144.02 18.0 1.77 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 110.33 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.496 HG22 ' HD3' ' A' ' 113' ' ' LYS . 1.8 p -114.65 157.7 22.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.406 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.488 ' N ' ' NE2' ' A' ' 122' ' ' GLN . 0.1 OUTLIER -163.48 175.43 10.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.595 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -79.73 136.61 36.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 108.03 -8.45 36.15 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.501 1.126 . . . . 0.0 110.999 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.488 ' NE2' ' N ' ' A' ' 119' ' ' HIS . 60.3 mt-30 -90.43 150.92 21.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 0.75 . . . . 0.0 110.349 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.436 ' HD3' HD12 ' A' ' 126' ' ' LEU . 1.2 tppm? -92.59 11.28 27.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -91.09 -42.13 10.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 2.4 pt -67.0 -40.89 86.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.585 HD22 ' HB2' ' A' ' 89' ' ' TYR . 43.7 mt -61.01 109.86 1.19 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.518 ' CZ ' ' O ' ' A' ' 104' ' ' VAL . 1.3 m-30 -120.27 144.5 47.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 0.0 111.049 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.755 ' O ' HD22 ' A' ' 130' ' ' LEU . 8.8 tp -125.53 111.85 25.6 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' PRO . . . . . 0.467 ' HA ' ' O ' ' A' ' 8' ' ' LEU . 18.2 Cg_endo -75.0 106.97 2.38 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.511 1.796 . . . . 0.0 110.983 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.755 HD22 ' O ' ' A' ' 128' ' ' LEU . 2.3 mm? -89.1 145.51 34.5 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 130' ' ' LEU . 18.2 Cg_endo -75.06 134.9 18.27 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.484 1.781 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.418 HG11 ' HG2' ' A' ' 38' ' ' GLN . 1.4 p . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.481 ' O ' HG12 ' A' ' 132' ' ' VAL . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.896 0 N-CA-C 111.01 -0.419 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.521 ' C ' HD13 ' A' ' 8' ' ' LEU . 1.2 mppt? -145.18 164.23 31.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.573 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 0.4 OUTLIER -103.44 140.65 37.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 109.263 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.568 HD22 ' N ' ' A' ' 9' ' ' LEU . 2.1 mm? -92.5 104.29 16.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.255 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.506 ' HB2' HD23 ' A' ' 130' ' ' LEU . 34.0 t80 -78.82 148.79 32.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.981 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 13' ' ' ASN . 42.2 t -134.32 76.25 1.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 108.306 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -36.97 -32.93 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.015 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.537 ' ND2' ' HB2' ' A' ' 124' ' ' ALA . 7.5 t30 -44.34 -50.18 9.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -123.61 -36.84 0.62 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 11' ' ' CYS . . . 94.38 72.98 1.19 Allowed Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.457 ' CD2' ' HB2' ' A' ' 30' ' ' ARG . 47.9 m80 -154.4 164.75 38.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.458 0.74 . . . . 0.0 109.612 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.573 ' CD1' ' HB3' ' A' ' 8' ' ' LEU . 20.4 m-85 -107.73 143.21 36.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.919 ' CD1' HD21 ' A' ' 106' ' ' LEU . 14.3 tp -77.16 122.5 25.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.795 ' HB3' HG22 ' A' ' 37' ' ' ILE . 2.1 ptm180 -123.81 154.12 40.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.279 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.532 HD11 ' HB2' ' A' ' 60' ' ' LEU . 60.0 mt -124.48 114.79 42.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.843 HD12 ' HB ' ' A' ' 25' ' ' THR . 23.4 mt -75.3 156.84 85.38 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -2.79 13.0 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.496 1.787 . . . . 0.0 111.012 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -94.03 -15.08 25.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.74 40.32 2.74 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.843 ' HB ' HD12 ' A' ' 21' ' ' LEU . 5.9 m -120.6 147.78 44.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 0.75 . . . . 0.0 110.399 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.3 t -131.55 116.76 32.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -148.23 161.98 40.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.13 157.92 35.72 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.582 ' CG2' HG21 ' A' ' 37' ' ' ILE . 4.8 t -157.68 132.33 8.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 0.735 . . . . 0.0 110.382 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.457 ' HB2' ' CD2' ' A' ' 16' ' ' HIS . 18.2 ttt180 -105.65 48.54 0.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -140.05 98.42 3.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.16 -38.06 49.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 110.254 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.29 -35.92 0.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.995 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.725 ' OD2' HG23 ' A' ' 37' ' ' ILE . 66.3 t0 -57.37 135.65 56.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.574 1.171 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -106.63 -5.22 18.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.331 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 27.8 m80 -89.29 -0.2 57.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.092 . . . . 0.0 109.584 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.795 HG22 ' HB3' ' A' ' 19' ' ' ARG . 14.7 pt -92.74 -22.39 5.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -60.91 89.78 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 110.312 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.555 HD23 ' HA ' ' A' ' 53' ' ' SER . 80.6 mt -98.82 146.14 26.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.357 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.744 ' HG2' HG22 ' A' ' 54' ' ' THR . 0.3 OUTLIER -105.55 114.79 29.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.315 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.2 mp -93.48 136.39 33.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.409 ' O ' ' HA ' ' A' ' 49' ' ' VAL . 1.7 m -137.8 160.12 40.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.999 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -119.92 124.56 46.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.415 ' HG2' ' OG ' ' A' ' 45' ' ' SER . 0.3 OUTLIER -100.64 -47.61 4.79 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 110.308 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.415 ' OG ' ' HG2' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -128.27 166.84 17.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.986 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.433 HG12 ' H ' ' A' ' 46' ' ' VAL . 2.0 p -67.4 104.83 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.91 4.73 48.16 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.488 1.117 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.803 ' OE1' HD21 ' A' ' 79' ' ' LEU . 22.4 mt-10 -119.47 143.29 47.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 0.743 . . . . 0.0 110.267 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.415 ' O ' HD12 ' A' ' 79' ' ' LEU . 12.7 m -139.56 150.77 22.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -118.99 132.32 56.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 11.2 mt -115.62 118.23 58.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.473 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -135.33 153.17 51.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.346 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.555 ' HA ' HD23 ' A' ' 39' ' ' LEU . 33.5 m -84.27 133.02 34.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.744 HG22 ' HG2' ' A' ' 40' ' ' GLN . 69.8 p -84.94 -27.53 26.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.406 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -76.65 -79.25 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.329 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 76.4 p -63.14 -53.32 55.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.393 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 120.41 -19.43 9.21 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.16 162.51 0.68 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 0.784 . . . . 0.0 110.266 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.473 ' CD1' ' HG2' ' A' ' 52' ' ' LYS . 10.1 m-30 -113.84 141.19 47.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.719 HD11 HD21 ' A' ' 18' ' ' LEU . 6.6 tp -76.91 113.02 14.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -140.09 148.21 41.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 42.5 ttm -106.81 117.16 33.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.955 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -69.93 -159.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 10.1 p -86.24 -28.24 23.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.412 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.578 ' CB ' HD12 ' A' ' 67' ' ' LEU . 48.1 m-20 -62.53 -12.56 23.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.42 ' HA3' ' CD ' ' A' ' 116' ' ' PRO . . . 86.38 8.07 78.43 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.48 1.113 . . . . 0.0 110.975 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.578 HD12 ' CB ' ' A' ' 65' ' ' ASP . 4.3 mp -96.94 171.49 8.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 0.74 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.76 HD11 HG13 ' A' ' 104' ' ' VAL . 36.4 mt -110.18 137.83 47.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.243 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.53 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 4.0 p90 -147.57 166.32 27.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 111.003 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -92.29 122.11 6.72 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.447 1.092 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.0 t -88.02 139.83 30.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 0.744 . . . . 0.0 110.039 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -71.57 -33.72 69.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.339 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.6 p -125.23 160.53 54.53 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 110.373 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 112.57 3.59 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.452 1.764 . . . . 0.0 110.95 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.405 ' O ' ' N ' ' A' ' 78' ' ' CYS . 5.0 m-20 -126.33 154.66 43.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -45.99 -26.66 0.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -61.61 -33.67 74.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.405 ' N ' ' O ' ' A' ' 75' ' ' ASN . 57.0 m -72.88 -16.67 61.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 108.291 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.803 HD21 ' OE1' ' A' ' 48' ' ' GLU . 8.8 tp -88.24 130.06 35.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.373 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.411 ' HA ' ' O ' ' A' ' 93' ' ' ILE . 19.1 m-85 -129.55 164.92 22.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.63 HD21 ' HA ' ' A' ' 95' ' ' LYS . 0.4 OUTLIER -103.67 127.15 51.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -109.25 145.76 35.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.269 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -150.9 166.33 30.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.307 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.402 HD13 ' C ' ' A' ' 84' ' ' LEU . 1.8 tm? -94.75 116.21 28.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.503 ' OE1' ' CD2' ' A' ' 126' ' ' LEU . 3.7 mt-10 -104.99 161.54 14.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 110.271 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -59.96 -179.83 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 38.2 m-20 60.05 16.84 6.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 56.13 66.16 1.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.612 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.457 ' CG ' ' HB3' ' A' ' 126' ' ' LEU . 13.4 m-85 -143.42 168.23 20.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.952 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -119.73 155.97 31.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.481 ' CG2' ' HG3' ' A' ' 85' ' ' GLU . 1.0 OUTLIER -125.9 162.21 25.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.403 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -145.72 132.72 20.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.164 . . . . 0.0 111.002 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 1.017 HD11 ' CE2' ' A' ' 103' ' ' PHE . 24.8 mt -136.28 138.25 47.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.6 t -58.4 138.28 56.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.983 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.63 ' HA ' HD21 ' A' ' 81' ' ' LEU . 2.2 tttt -78.05 -50.86 11.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.06 -25.31 0.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.547 ' CE1' ' CZ3' ' A' ' 102' ' ' TRP . 30.5 m-70 -105.38 -90.88 0.4 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.596 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 97' ' ' HIS . . . 69.06 -63.24 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 97' ' ' HIS . 6.9 mt-10 -58.42 -17.02 17.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.138 . . . . 0.0 110.315 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.588 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 14.6 mttt -88.97 -7.77 55.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 45.8 64.4 1.47 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.588 ' CD1' ' O ' ' A' ' 100' ' ' LYS . 52.0 m0 -112.14 131.05 55.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 107.973 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 1.017 ' CE2' HD11 ' A' ' 93' ' ' ILE . 84.6 m-85 -112.65 146.89 37.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.76 HG13 HD11 ' A' ' 68' ' ' LEU . 73.6 t -61.29 -90.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.561 ' HA2' ' CE1' ' A' ' 127' ' ' PHE . . . 54.57 168.17 0.04 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.447 1.092 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.984 HD23 ' HA ' ' A' ' 112' ' ' CYS . 13.0 mt -137.6 129.36 28.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 0.765 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 111' ' ' SER . 2.6 mtmp? -52.11 -176.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -88.09 -8.1 55.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -89.34 8.97 27.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 74.51 20.1 79.67 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 107' ' ' LYS . 63.0 m -114.07 166.91 11.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.443 0.731 . . . . 0.0 110.006 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' CYS . . . . . 0.984 ' HA ' HD23 ' A' ' 106' ' ' LEU . 13.6 p -74.17 136.43 42.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 108.342 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 114' ' ' ARG . 0.6 OUTLIER -89.27 123.97 33.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.123 . . . . 0.0 109.306 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.442 ' CB ' ' HG3' ' A' ' 117' ' ' ARG . 0.9 OUTLIER -37.37 146.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.312 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.472 ' C ' ' H ' ' A' ' 117' ' ' ARG . . . -66.56 -55.91 15.65 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.488 1.118 . . . . 0.0 110.976 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.42 ' CD ' ' HA3' ' A' ' 66' ' ' GLY . 18.3 Cg_endo -75.03 39.02 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.508 1.794 . . . . 0.0 110.991 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.472 ' H ' ' C ' ' A' ' 115' ' ' GLY . 7.2 mmt180 -142.93 17.64 1.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.28 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.509 HG21 ' HB2' ' A' ' 103' ' ' PHE . 1.3 p -114.73 164.44 14.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.419 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -171.67 166.62 6.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.589 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -73.58 127.54 33.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 122.93 -19.78 7.76 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.439 1.087 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -79.83 148.61 31.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 0.754 . . . . 0.0 110.263 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 4.7 ttmm -90.38 18.65 5.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.537 ' HB2' ' ND2' ' A' ' 13' ' ' ASN . . . -94.96 -51.06 4.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.4 pt -55.09 -28.42 20.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.503 ' CD2' ' OE1' ' A' ' 85' ' ' GLU . 21.4 mt -64.98 105.38 1.02 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 109.347 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.561 ' CE1' ' HA2' ' A' ' 105' ' ' GLY . 0.6 OUTLIER -121.09 135.77 55.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.583 1.177 . . . . 0.0 110.983 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.684 HD23 ' HD2' ' A' ' 129' ' ' PRO . 0.7 OUTLIER -119.84 113.78 34.34 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 129' ' ' PRO . . . . . 0.684 ' HD2' HD23 ' A' ' 128' ' ' LEU . 18.3 Cg_endo -75.06 112.51 3.58 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.537 1.809 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.541 HD22 ' O ' ' A' ' 128' ' ' LEU . 3.8 mm? -92.72 140.79 23.85 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 130' ' ' LEU . 18.1 Cg_endo -75.01 140.11 25.03 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.498 1.789 . . . . 0.0 110.942 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.481 HG12 ' O ' ' A' ' 6' ' ' PRO . 5.2 p . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.564 1.165 . . . . 0.0 109.287 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.904 0 N-CA-C 111.016 -0.417 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.48 ' HG2' HD22 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -142.49 172.35 12.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.554 HD22 HD12 ' A' ' 37' ' ' ILE . 0.3 OUTLIER -115.09 146.12 41.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -91.76 104.97 17.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.411 ' HB3' ' CB ' ' A' ' 128' ' ' LEU . 44.8 t80 -84.79 113.75 21.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 111.046 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.456 ' O ' ' N ' ' A' ' 15' ' ' GLY . 41.3 t -88.65 76.12 8.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 108.3 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 11' ' ' CYS . 15.3 p -35.6 -35.03 0.05 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.557 1.16 . . . . 0.0 109.977 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 11' ' ' CYS . 13.3 t-20 -42.48 -52.82 4.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -120.69 -36.18 0.8 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.47 1.106 . . . . 0.0 111.046 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 11' ' ' CYS . . . 97.33 74.03 1.17 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.422 ' ND1' ' C ' ' A' ' 15' ' ' GLY . 42.7 m80 -151.11 161.7 42.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 0.763 . . . . 0.0 109.6 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.417 ' HE1' HD12 ' A' ' 130' ' ' LEU . 24.5 m-85 -105.51 142.69 34.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.785 ' CD1' HD21 ' A' ' 106' ' ' LEU . 8.6 tp -77.99 126.07 30.28 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.883 ' HB3' HG22 ' A' ' 37' ' ' ILE . 3.1 ptm180 -126.59 153.1 45.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.541 HD11 ' HB2' ' A' ' 60' ' ' LEU . 74.2 mt -124.75 118.7 54.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.793 HD12 ' HB ' ' A' ' 25' ' ' THR . 22.8 mt -80.79 157.01 72.35 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.576 1.172 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 -4.18 15.01 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.496 1.787 . . . . 0.0 110.97 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -91.17 -18.2 24.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 104.26 40.89 2.16 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.536 1.147 . . . . 0.0 111.037 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.793 ' HB ' HD12 ' A' ' 21' ' ' LEU . 5.2 m -119.93 147.24 44.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 0.749 . . . . 0.0 110.434 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.7 t -132.2 118.01 34.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.335 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -148.09 162.64 38.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.348 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -90.48 148.1 19.42 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 110.973 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 t -154.25 137.14 15.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 110.398 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.5 ttt-85 -109.44 53.94 0.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.268 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -136.66 86.39 2.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.153 . . . . 0.0 109.26 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.16 -32.85 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.8 t -41.52 -51.45 3.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 109.992 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.01 149.45 1.89 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -115.26 -13.01 11.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.281 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.565 ' CE1' ' HG2' ' A' ' 55' ' ' GLU . 34.3 m80 -76.77 -13.65 60.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.613 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.883 HG22 ' HB3' ' A' ' 19' ' ' ARG . 39.4 pt -76.64 -29.84 18.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -55.98 89.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.631 HD23 ' HA ' ' A' ' 53' ' ' SER . 32.0 mt -97.29 144.5 27.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.47 ' HB2' ' CG2' ' A' ' 54' ' ' THR . 0.0 OUTLIER -105.79 114.27 28.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.127 . . . . 0.0 110.313 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.857 HD11 HG23 ' A' ' 51' ' ' ILE . 0.3 OUTLIER -93.28 135.26 34.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.289 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.421 ' O ' ' HA ' ' A' ' 49' ' ' VAL . 0.3 OUTLIER -135.31 160.96 36.75 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 0.0 109.994 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -123.19 129.3 51.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.535 ' HG3' ' CD2' ' A' ' 50' ' ' TYR . 1.6 mt-10 -113.39 -52.01 2.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 110.3 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.76 163.24 21.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 109.989 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.6 p -61.89 115.65 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.36 18.65 61.99 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.554 1.158 . . . . 0.0 111.032 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.581 ' HB3' HD11 ' A' ' 79' ' ' LEU . 14.1 mt-10 -128.68 130.73 47.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 0.772 . . . . 0.0 110.301 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.421 ' HA ' ' O ' ' A' ' 42' ' ' SER . 25.0 m -136.05 150.06 27.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.535 ' CD2' ' HG3' ' A' ' 44' ' ' GLU . 1.0 OUTLIER -118.77 134.05 55.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 111.04 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.857 HG23 HD11 ' A' ' 41' ' ' LEU . 3.6 mt -114.5 107.38 22.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.429 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 6.7 mttt -119.13 152.2 36.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.631 ' HA ' HD23 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -88.12 130.06 35.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.027 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.47 ' CG2' ' HB2' ' A' ' 40' ' ' GLN . 82.8 p -90.99 11.81 21.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.408 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.565 ' HG2' ' CE1' ' A' ' 36' ' ' HIS . 43.7 tp10 -104.7 -61.17 1.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.343 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.439 ' OG1' ' N ' ' A' ' 57' ' ' GLY . 32.0 p -91.74 -64.36 1.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 110.392 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.439 ' N ' ' OG1' ' A' ' 56' ' ' THR . . . 125.74 42.23 0.32 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.447 1.092 . . . . 0.0 111.015 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -116.46 136.29 53.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 0.782 . . . . 0.0 110.242 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.429 ' CD1' ' HG2' ' A' ' 52' ' ' LYS . 58.1 m-85 -77.0 136.36 38.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.551 ' CD2' HD12 ' A' ' 51' ' ' ILE . 2.8 tp -77.76 112.87 15.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.259 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.475 ' HB2' ' SG ' ' A' ' 78' ' ' CYS . . . -137.92 154.25 49.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.488 ' HE2' ' HB2' ' A' ' 62' ' ' MET . 6.2 tpp -103.47 145.89 29.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.979 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.426 ' N ' ' HG3' ' A' ' 62' ' ' MET . 0.5 OUTLIER -97.42 163.1 13.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.413 ' H ' HG23 ' A' ' 64' ' ' THR . 61.8 p -50.64 -33.11 21.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.369 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.418 ' HB3' ' CD2' ' A' ' 67' ' ' LEU . 6.7 m-20 -60.89 -19.0 59.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.422 ' HA3' ' CD ' ' A' ' 116' ' ' PRO . . . 93.37 13.87 54.9 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.477 1.111 . . . . 0.0 110.964 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.418 ' CD2' ' HB3' ' A' ' 65' ' ' ASP . 0.6 OUTLIER -105.0 161.54 14.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 0.773 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.909 HD11 HG13 ' A' ' 104' ' ' VAL . 7.6 mt -97.44 142.44 29.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.512 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 4.0 p90 -147.81 155.4 41.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 111.031 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -76.81 111.5 3.29 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.87 127.17 34.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 0.782 . . . . 0.0 109.986 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -61.01 -54.49 44.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.2 p -104.56 156.46 35.85 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 110.414 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 116.48 4.59 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.471 1.774 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -125.63 156.37 39.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -48.31 -25.71 1.69 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.48 1.113 . . . . 0.0 110.301 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -64.76 -27.6 69.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.455 1.097 . . . . 0.0 110.321 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.475 ' SG ' ' HB2' ' A' ' 61' ' ' ALA . 48.0 m -77.46 -16.98 58.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 108.291 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.581 HD11 ' HB3' ' A' ' 48' ' ' GLU . 3.2 tp -87.93 117.2 26.62 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -116.45 165.17 13.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.963 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.67 HD21 ' HD3' ' A' ' 95' ' ' LYS . 4.5 mt -103.46 129.99 50.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.42 ' OE2' ' N ' ' A' ' 83' ' ' ARG . 2.7 tm-20 -108.62 150.12 27.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.42 ' N ' ' OE2' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -157.86 152.76 25.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.092 . . . . 0.0 110.342 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.492 HD22 ' N ' ' A' ' 85' ' ' GLU . 2.5 tm? -95.76 128.88 43.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.492 ' N ' HD22 ' A' ' 84' ' ' LEU . 12.6 mm-40 -98.33 159.11 15.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.316 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -72.42 88.16 1.19 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 173.68 -89.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 177.05 38.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.588 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.892 ' CE1' HD12 ' A' ' 128' ' ' LEU . 74.2 m-85 -139.52 171.96 13.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 111.017 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -125.97 156.69 39.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.463 ' CG2' HG13 ' A' ' 125' ' ' ILE . 1.2 p -126.92 144.26 51.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.374 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -126.6 132.56 51.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 1.046 HD11 ' CE2' ' A' ' 103' ' ' PHE . 43.5 mt -135.52 145.2 32.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 98' ' ' ALA . 1.6 t -71.59 138.81 49.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 110.01 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.67 ' HD3' HD21 ' A' ' 81' ' ' LEU . 18.4 tptm -73.98 -50.16 21.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.577 ' HB3' ' CD2' ' A' ' 97' ' ' HIS . 2.8 tttt -58.76 -17.13 20.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.247 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.577 ' CD2' ' HB3' ' A' ' 96' ' ' LYS . 0.1 OUTLIER -129.66 23.44 5.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.608 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.528 ' HB2' ' HA ' ' A' ' 95' ' ' LYS . . . -54.66 -52.67 61.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.31 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -60.89 -24.73 66.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 110.319 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.475 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 2.3 mtpt -73.5 -12.48 60.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 49.87 65.03 1.54 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.475 ' CD1' ' O ' ' A' ' 100' ' ' LYS . 48.0 m0 -111.61 131.16 55.46 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 1.046 ' CE2' HD11 ' A' ' 93' ' ' ILE . 89.3 m-85 -113.14 149.2 33.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.996 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.909 HG13 HD11 ' A' ' 68' ' ' LEU . 74.4 t -70.64 -89.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 104' ' ' VAL . . . 51.1 173.59 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.905 HD23 ' HA ' ' A' ' 112' ' ' CYS . 19.4 mt -138.16 131.45 30.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 0.748 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 111' ' ' SER . 5.7 mtpt -55.61 -167.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -90.18 -13.06 36.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -86.78 7.16 28.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 72.62 29.05 66.22 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.481 1.113 . . . . 0.0 111.054 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.466 ' O ' ' N ' ' A' ' 107' ' ' LYS . 0.4 OUTLIER -121.69 160.86 23.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 0.762 . . . . 0.0 109.981 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 112' ' ' CYS . . . . . 0.905 ' HA ' HD23 ' A' ' 106' ' ' LEU . 18.8 p -66.87 136.02 54.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 108.32 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.503 ' HD3' HG22 ' A' ' 118' ' ' THR . 4.0 tttp -89.5 125.62 35.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -37.75 139.68 0.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.339 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.495 ' C ' ' H ' ' A' ' 117' ' ' ARG . . . -64.25 -55.85 21.29 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.422 ' CD ' ' HA3' ' A' ' 66' ' ' GLY . 18.2 Cg_endo -75.01 32.75 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.539 1.81 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.495 ' H ' ' C ' ' A' ' 115' ' ' GLY . 6.2 mmt180 -141.84 21.94 2.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.333 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.503 HG22 ' HD3' ' A' ' 113' ' ' LYS . 1.5 p -119.82 159.27 24.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.449 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -164.62 166.8 19.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 109.596 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -71.46 132.59 44.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.972 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 120.99 -23.4 7.76 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.521 1.138 . . . . 0.0 110.967 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -76.12 149.09 37.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 0.755 . . . . 0.0 110.28 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.3 ttmm -91.86 26.46 2.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.25 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -102.02 -59.03 1.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.463 HG13 ' CG2' ' A' ' 91' ' ' THR . 4.6 pt -46.4 -37.52 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 29.9 mt -62.01 114.06 3.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -119.99 140.38 51.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.892 HD12 ' CE1' ' A' ' 89' ' ' TYR . 0.4 OUTLIER -113.37 108.01 52.88 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 129' ' ' PRO . . . . . 0.449 ' HA ' ' O ' ' A' ' 8' ' ' LEU . 18.6 Cg_endo -74.99 107.07 2.4 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.462 1.77 . . . . 0.0 111.037 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.417 HD12 ' HE1' ' A' ' 17' ' ' PHE . 64.4 mt -98.79 146.58 31.88 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.523 1.14 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 146.14 32.33 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.525 1.803 . . . . 0.0 110.963 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.475 ' CG2' HD11 ' A' ' 8' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.846 0 N-CA-C 110.951 -0.442 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.34 167.8 21.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.157 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.527 HD11 ' HB ' ' A' ' 132' ' ' VAL . 2.0 mt -122.74 141.0 52.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -92.68 104.48 16.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -82.21 139.07 34.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.457 ' O ' ' N ' ' A' ' 15' ' ' GLY . 51.4 t -119.12 77.62 1.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 108.305 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 13' ' ' ASN . 41.1 t -37.9 -36.7 0.21 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.978 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 12' ' ' SER . 10.8 t30 -38.37 -65.67 0.33 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.147 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.554 ' O ' ' CE1' ' A' ' 16' ' ' HIS . . . -127.0 25.19 5.29 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.521 1.138 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 11' ' ' CYS . . . 42.46 71.13 0.41 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.059 -0.817 . . . . 0.0 111.059 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.554 ' CE1' ' O ' ' A' ' 14' ' ' GLY . 56.8 m80 -134.76 163.67 29.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 0.778 . . . . 0.0 109.563 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.489 ' HE1' HD12 ' A' ' 130' ' ' LEU . 22.0 m-85 -117.21 140.89 48.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.546 1.154 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.641 ' CD1' HD21 ' A' ' 106' ' ' LEU . 13.1 tp -79.26 112.56 16.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.93 ' HB3' HG22 ' A' ' 37' ' ' ILE . 2.6 ptm180 -116.4 150.28 38.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 110.288 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.829 HD11 ' HB2' ' A' ' 60' ' ' LEU . 59.8 mt -124.12 109.83 23.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.704 HD21 ' NE ' ' A' ' 19' ' ' ARG . 24.3 mt -76.7 157.34 82.17 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 0.18 9.21 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.488 1.783 . . . . 0.0 111.023 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -100.77 10.5 41.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.88 46.83 27.85 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.556 1.16 . . . . 0.0 111.016 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.5 m -126.68 143.86 51.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 0.732 . . . . 0.0 110.428 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.3 t -135.35 119.5 26.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.273 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -148.17 162.58 39.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -84.03 135.05 13.29 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.418 1.074 . . . . 0.0 110.993 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.472 ' CG2' HG21 ' A' ' 37' ' ' ILE . 1.2 t -136.98 136.56 38.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 0.745 . . . . 0.0 110.438 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -110.64 55.82 0.64 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.289 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -146.33 85.15 1.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 33' ' ' SER . 1.4 mpp_? -39.83 -37.99 0.62 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.348 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 32' ' ' ARG . 0.2 OUTLIER -39.15 -41.85 0.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.0 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.417 ' OD2' HG23 ' A' ' 37' ' ' ILE . 1.2 t0 -44.99 120.81 2.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -94.23 28.39 2.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.303 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 45.0 m80 -122.28 -41.95 2.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.647 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.93 HG22 ' HB3' ' A' ' 19' ' ' ARG . 44.3 pt -48.19 -26.89 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -52.99 89.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.333 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.747 HD23 ' HA ' ' A' ' 53' ' ' SER . 61.0 mt -101.72 143.34 31.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.833 ' HG2' HG22 ' A' ' 54' ' ' THR . 1.1 pt20 -105.31 114.8 29.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.36 136.23 33.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.9 m -139.87 160.46 39.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.986 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -122.27 125.02 45.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -110.11 -42.0 4.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.237 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.52 163.62 23.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.044 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 11.9 p -62.59 125.86 19.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.155 . . . . 0.0 109.254 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.404 ' O ' ' HA ' ' A' ' 81' ' ' LEU . . . 73.51 4.56 65.46 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.478 1.111 . . . . 0.0 111.031 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.778 ' HG2' HD23 ' A' ' 81' ' ' LEU . 28.4 mt-10 -115.56 140.49 49.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.78 . . . . 0.0 110.303 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.434 ' O ' HD12 ' A' ' 79' ' ' LEU . 25.5 m -137.01 161.33 35.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.428 1.08 . . . . 0.0 109.345 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.441 ' CE2' HD22 ' A' ' 79' ' ' LEU . 3.6 m-85 -127.67 137.21 52.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 5.7 mt -122.95 123.44 68.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.251 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.564 ' HD3' ' CE1' ' A' ' 59' ' ' TYR . 25.7 ttpt -140.98 150.91 43.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.747 ' HA ' HD23 ' A' ' 39' ' ' LEU . 0.6 OUTLIER -79.19 129.35 34.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 110.04 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.833 HG22 ' HG2' ' A' ' 40' ' ' GLN . 40.1 p -83.6 -1.57 54.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.138 . . . . 0.0 110.42 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -99.15 -58.93 1.82 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.292 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 39.9 p -82.46 -52.12 7.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 110.424 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 105.24 46.06 1.28 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.491 1.119 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -127.8 136.62 51.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 0.799 . . . . 0.0 110.313 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.564 ' CE1' ' HD3' ' A' ' 52' ' ' LYS . 21.3 m-85 -80.61 141.13 35.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.829 ' HB2' HD11 ' A' ' 20' ' ' ILE . 4.2 tp -77.19 115.87 17.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.675 ' HB2' ' SG ' ' A' ' 78' ' ' CYS . . . -132.45 153.56 50.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.458 ' HE2' ' HB2' ' A' ' 62' ' ' MET . 14.4 tpp -106.44 135.98 47.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 110.993 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.517 ' CG ' ' CE2' ' A' ' 69' ' ' TYR . 1.0 OUTLIER -90.51 -171.83 3.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 0.0 109.274 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.9 p -80.59 -28.32 37.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.37 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.424 ' CB ' HD22 ' A' ' 67' ' ' LEU . 5.2 m-20 -67.44 -9.65 43.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.54 -2.24 84.58 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.539 1.15 . . . . 0.0 111.002 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.424 HD22 ' CB ' ' A' ' 65' ' ' ASP . 0.6 OUTLIER -85.94 155.72 20.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 0.0 109.315 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 14.9 mt -96.3 140.43 30.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.555 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 2.8 p90 -148.37 150.84 34.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -88.68 127.64 8.72 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.509 1.131 . . . . 0.0 110.946 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.7 t -93.7 139.61 30.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 0.741 . . . . 0.0 110.017 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -63.63 -37.32 86.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.305 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.3 p -119.83 158.92 48.62 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.355 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 112.28 3.52 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.458 1.767 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -125.64 157.16 37.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.252 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -49.45 -32.71 12.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -61.1 -17.29 51.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.283 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.675 ' SG ' ' HB2' ' A' ' 61' ' ' ALA . 7.3 m -95.26 -18.86 20.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 108.312 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.61 HD11 ' HB3' ' A' ' 48' ' ' GLU . 2.5 tp -83.02 119.55 24.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -117.01 165.35 13.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.778 HD23 ' HG2' ' A' ' 48' ' ' GLU . 5.9 mt -103.37 125.1 49.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -109.21 149.13 29.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.24 147.31 20.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.8 tt -92.3 108.05 19.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 109.343 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.466 ' OE2' HG21 ' A' ' 91' ' ' THR . 0.5 OUTLIER -105.53 165.37 11.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.312 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -52.99 176.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.275 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 73.88 4.55 4.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 54.45 62.42 2.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.611 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.602 ' HD1' HD13 ' A' ' 128' ' ' LEU . 0.8 OUTLIER -144.69 158.77 43.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 111.031 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -111.79 148.08 34.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.549 HG22 ' O ' ' A' ' 125' ' ' ILE . 22.5 p -131.07 159.68 36.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.423 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -141.52 134.06 28.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 111.058 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.677 HD11 ' CE2' ' A' ' 103' ' ' PHE . 51.3 mt -135.49 143.29 37.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.286 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.97 138.37 57.21 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.47 1.107 . . . . 0.0 110.004 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 25.6 tttt -69.4 -58.36 4.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 24.1 tttt -57.36 -24.52 55.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -121.93 44.73 2.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.614 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -78.06 -44.4 26.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 109.335 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -68.62 -21.01 64.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.322 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.543 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 3.1 mtpt -74.7 -11.65 60.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 51.3 63.74 2.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.543 ' CD1' ' O ' ' A' ' 100' ' ' LYS . 46.7 m0 -113.3 131.98 55.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 107.99 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.677 ' CE2' HD11 ' A' ' 93' ' ' ILE . 88.4 m-85 -112.78 148.77 34.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.498 ' O ' ' C ' ' A' ' 105' ' ' GLY . 40.6 t -72.63 -25.95 23.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.583 ' HA2' ' CE1' ' A' ' 127' ' ' PHE . . . -29.87 143.73 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.487 1.117 . . . . 0.0 111.02 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.641 HD21 ' CD1' ' A' ' 18' ' ' LEU . 0.9 OUTLIER -106.84 149.95 26.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.778 . . . . 0.0 109.287 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 111' ' ' SER . 1.1 mtpt -55.17 -171.18 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.84 -9.39 18.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.093 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -92.87 25.21 3.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 64.0 39.78 97.59 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.512 1.132 . . . . 0.0 111.053 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.49 ' O ' ' N ' ' A' ' 107' ' ' LYS . 49.3 m -135.52 166.08 24.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 0.758 . . . . 0.0 110.011 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' CYS . . . . . 0.568 ' HA ' HD23 ' A' ' 106' ' ' LEU . 19.4 p -82.22 135.65 35.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 108.302 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.628 ' HD3' HG22 ' A' ' 118' ' ' THR . 7.5 tttt -90.22 107.53 19.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -36.78 142.49 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 110.278 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.469 ' C ' ' H ' ' A' ' 117' ' ' ARG . . . -50.07 -59.99 7.03 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.471 1.107 . . . . 0.0 111.034 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.405 ' O ' ' HG2' ' A' ' 117' ' ' ARG . 18.2 Cg_endo -75.0 38.05 0.51 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.506 1.792 . . . . 0.0 111.004 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.469 ' H ' ' C ' ' A' ' 115' ' ' GLY . 2.7 mtt-85 -144.39 17.0 1.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.274 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.628 HG22 ' HD3' ' A' ' 113' ' ' LYS . 3.7 p -118.29 166.48 12.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.4 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.585 ' O ' HD13 ' A' ' 125' ' ' ILE . 0.4 OUTLIER -175.36 -176.01 0.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.587 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -86.49 142.59 28.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 111.3 -20.01 23.87 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -85.49 154.68 21.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 0.774 . . . . 0.0 110.303 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.07 16.54 16.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -94.1 -45.17 7.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.342 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.585 HD13 ' O ' ' A' ' 119' ' ' HIS . 1.8 pt -65.79 -25.66 36.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.098 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.573 ' HB3' ' CD2' ' A' ' 89' ' ' TYR . 47.7 mt -73.65 108.03 6.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.583 ' CE1' ' HA2' ' A' ' 105' ' ' GLY . 1.7 m-30 -119.38 141.68 48.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.963 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.602 HD13 ' HD1' ' A' ' 89' ' ' TYR . 5.9 tp -127.81 126.63 23.92 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' PRO . . . . . 0.446 ' HA ' ' O ' ' A' ' 8' ' ' LEU . 18.3 Cg_endo -75.0 117.22 4.83 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.46 1.768 . . . . 0.0 111.006 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.489 HD12 ' HE1' ' A' ' 17' ' ' PHE . 35.9 mt -100.54 133.59 21.19 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 130' ' ' LEU . 18.1 Cg_endo -74.96 132.26 15.27 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.518 1.799 . . . . 0.0 111.001 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.527 ' HB ' HD11 ' A' ' 8' ' ' LEU . 6.1 p . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.917 0 N-CA-C 110.982 -0.43 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.5 mtmt -142.49 155.02 45.01 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.623 HD22 HD12 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -103.56 139.91 38.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.721 HD11 HD21 ' A' ' 41' ' ' LEU . 1.9 mm? -91.63 115.04 27.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.255 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.516 ' O ' ' CD1' ' A' ' 127' ' ' PHE . 17.8 t80 -84.32 141.52 30.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 15' ' ' GLY . 20.9 t -116.4 70.86 0.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 108.339 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 11' ' ' CYS . 5.2 p -35.85 -35.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.001 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' A' ' 11' ' ' CYS . 14.2 t30 -42.24 -48.65 4.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 11' ' ' CYS . . . -124.93 -38.4 0.5 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 11' ' ' CYS . . . 103.23 58.94 0.73 Allowed Glycine 0 CA--C 1.531 1.031 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.416 ' CD2' ' HG2' ' A' ' 30' ' ' ARG . 14.9 m80 -135.48 167.07 21.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 0.761 . . . . 0.0 109.639 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -110.41 142.05 42.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.803 ' CD1' HD21 ' A' ' 106' ' ' LEU . 10.7 tp -78.51 114.25 17.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.863 ' HB3' HG22 ' A' ' 37' ' ' ILE . 4.6 ptm180 -117.54 154.48 31.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.298 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.695 HD11 ' HB2' ' A' ' 60' ' ' LEU . 6.0 mt -124.5 117.08 49.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.448 HD12 ' HB ' ' A' ' 25' ' ' THR . 23.8 mt -82.21 157.61 67.99 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -1.44 11.22 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.542 1.811 . . . . 0.0 111.019 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.96 6.72 47.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.23 40.86 27.91 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.558 1.161 . . . . 0.0 110.982 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.448 ' HB ' HD12 ' A' ' 21' ' ' LEU . 2.2 m -122.41 146.62 47.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 0.762 . . . . 0.0 110.441 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.3 t -129.72 121.11 51.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -144.75 161.92 38.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.09 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -90.67 138.46 14.41 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.499 1.124 . . . . 0.0 110.984 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.532 ' CG2' HG21 ' A' ' 37' ' ' ILE . 1.7 t -140.5 145.27 36.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 0.785 . . . . 0.0 110.37 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.416 ' HG2' ' CD2' ' A' ' 16' ' ' HIS . 1.3 ptt85 -117.99 36.49 4.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.3 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -121.37 87.39 2.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -40.65 -34.27 0.35 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.331 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.95 -49.68 3.26 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 110.038 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.441 ' OD2' HG23 ' A' ' 37' ' ' ILE . 3.9 t70 -48.07 136.37 11.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -102.13 -19.37 15.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.262 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.557 ' CD2' ' HG2' ' A' ' 55' ' ' GLU . 35.5 m80 -67.1 -33.4 75.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.586 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.863 HG22 ' HB3' ' A' ' 19' ' ' ARG . 37.4 pt -56.55 -33.01 38.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -53.64 94.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.554 1.159 . . . . 0.0 110.291 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.837 HD23 ' HA ' ' A' ' 53' ' ' SER . 35.2 mt -102.45 146.4 28.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.406 ' HB2' ' CG2' ' A' ' 54' ' ' THR . 0.0 OUTLIER -105.88 114.34 28.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.316 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.919 HD11 HG23 ' A' ' 51' ' ' ILE . 0.1 OUTLIER -91.0 136.56 32.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 109.299 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.418 ' O ' ' HA ' ' A' ' 49' ' ' VAL . 5.6 m -134.45 160.02 39.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.965 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -123.54 130.28 52.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.626 ' CD ' ' CE2' ' A' ' 50' ' ' TYR . 44.3 mt-10 -117.69 -49.37 2.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.305 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.68 160.41 30.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 109.972 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 97.9 t -58.01 127.54 17.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.06 32.47 73.04 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.478 1.111 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.79 ' HB3' HD11 ' A' ' 79' ' ' LEU . 11.2 mt-10 -140.53 137.09 33.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 0.782 . . . . 0.0 110.302 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.452 ' O ' HD12 ' A' ' 79' ' ' LEU . 22.1 m -142.34 151.77 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.788 ' CD2' HD13 ' A' ' 79' ' ' LEU . 5.2 m-85 -116.38 132.63 56.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.96 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.919 HG23 HD11 ' A' ' 41' ' ' LEU . 1.6 mt -115.96 107.3 22.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.423 ' HG2' ' N ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -132.05 145.0 51.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.335 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.837 ' HA ' HD23 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -82.81 137.21 34.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.964 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.406 ' CG2' ' HB2' ' A' ' 40' ' ' GLN . 9.6 p -96.2 -4.92 41.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.387 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.557 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 25.3 tp10 -85.24 -65.57 0.99 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 110.336 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 71.5 p -78.13 -64.81 1.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 110.398 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 127.39 46.13 0.2 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.483 1.114 . . . . 0.0 110.97 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -129.05 162.11 28.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 0.793 . . . . 0.0 110.286 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.468 ' CD1' ' N ' ' A' ' 59' ' ' TYR . 1.7 m-30 -111.6 138.89 47.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 111.036 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.695 ' HB2' HD11 ' A' ' 20' ' ' ILE . 2.7 tp -77.32 118.31 19.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -136.53 149.23 48.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 55.6 ttm -104.09 117.62 34.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 111.02 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.62 -162.98 0.29 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 72.4 p -87.14 -18.4 30.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.367 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.473 ' HB3' HD22 ' A' ' 67' ' ' LEU . 5.3 m-20 -66.64 -22.61 66.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 99.76 -7.94 59.53 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.473 HD22 ' HB3' ' A' ' 65' ' ' ASP . 0.2 OUTLIER -91.98 170.06 10.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 0.777 . . . . 0.0 109.276 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.864 HD11 HG13 ' A' ' 104' ' ' VAL . 3.4 mt -103.79 144.69 31.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.541 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 3.4 p90 -148.62 163.87 35.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -91.65 125.63 8.13 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.518 1.136 . . . . 0.0 111.019 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.7 t -92.38 140.01 30.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 0.769 . . . . 0.0 109.987 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -75.56 -32.03 60.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.5 p -120.79 156.82 55.94 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.389 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 108.99 2.84 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.521 1.801 . . . . 0.0 110.995 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 44.2 m-20 -127.04 154.84 44.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -47.3 -28.27 1.91 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 110.318 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -60.14 -25.15 65.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.303 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 33.4 m -82.45 -21.27 35.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 108.295 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.79 HD11 ' HB3' ' A' ' 48' ' ' GLU . 10.1 tp -86.51 127.94 34.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.406 ' O ' ' HA ' ' A' ' 48' ' ' GLU . 10.1 m-85 -124.3 163.75 21.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 111.003 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.673 HD22 ' N ' ' A' ' 81' ' ' LEU . 0.1 OUTLIER -104.01 125.49 50.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.411 ' OE1' ' N ' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -108.57 148.81 29.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.312 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.411 ' N ' ' OE1' ' A' ' 82' ' ' GLU . 0.4 OUTLIER -148.31 166.25 28.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.287 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.458 HD13 ' N ' ' A' ' 85' ' ' GLU . 0.1 OUTLIER -107.52 127.93 54.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.458 ' N ' HD13 ' A' ' 84' ' ' LEU . 2.8 mm-40 -103.25 164.77 11.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 110.297 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -86.11 49.78 1.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 110.318 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -152.82 26.19 0.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 53.04 33.83 15.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.576 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.446 ' CE1' HD12 ' A' ' 128' ' ' LEU . 3.1 m-85 -133.57 153.79 51.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.955 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -114.85 156.82 24.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 72.5 p -124.69 166.88 15.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.381 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -147.06 132.69 18.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 111.012 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.613 ' O ' HD22 ' A' ' 81' ' ' LEU . 61.0 mt -130.93 147.96 33.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.494 ' O ' ' HB2' ' A' ' 98' ' ' ALA . 40.7 t -76.48 138.05 40.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.006 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.454 ' HA ' HD21 ' A' ' 81' ' ' LEU . 0.1 OUTLIER -62.74 -74.16 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -44.48 -28.46 0.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.26 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.402 ' N ' ' C ' ' A' ' 95' ' ' LYS . 0.1 OUTLIER -122.44 52.11 1.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.616 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.494 ' HB2' ' O ' ' A' ' 94' ' ' SER . . . -97.9 -31.04 12.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -72.98 -24.04 60.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.326 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.592 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 2.4 mttt -79.81 1.23 27.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.242 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 45.78 64.78 1.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.323 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.592 ' CD1' ' O ' ' A' ' 100' ' ' LYS . 50.8 m0 -112.29 133.14 54.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 108.015 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.552 ' CE2' HD11 ' A' ' 93' ' ' ILE . 92.1 m-85 -112.73 148.7 34.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.864 HG13 HD11 ' A' ' 68' ' ' LEU . 70.0 t -63.51 -95.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.575 ' HA2' ' CE1' ' A' ' 127' ' ' PHE . . . 53.49 169.89 0.03 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 1.003 HD23 ' HA ' ' A' ' 112' ' ' CYS . 2.1 mt -137.14 132.9 34.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 0.785 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 111' ' ' SER . 44.7 mttt -50.83 179.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.76 -6.19 59.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -88.77 8.99 26.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 71.54 38.44 61.78 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.525 1.141 . . . . 0.0 111.028 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 107' ' ' LYS . 42.5 p -136.27 166.75 22.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 0.791 . . . . 0.0 109.986 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' CYS . . . . . 1.003 ' HA ' HD23 ' A' ' 106' ' ' LEU . 58.7 m -67.38 134.82 52.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 108.312 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.803 ' HZ1' HG22 ' A' ' 118' ' ' THR . 17.9 ttpp -90.88 126.92 36.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.435 ' O ' HG23 ' A' ' 118' ' ' THR . 0.0 OUTLIER -37.67 153.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.321 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.53 ' N ' ' CD ' ' A' ' 116' ' ' PRO . . . -79.35 -49.34 6.3 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.527 1.142 . . . . 0.0 111.026 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.589 ' HA ' ' CD1' ' A' ' 102' ' ' TRP . 18.3 Cg_endo -75.01 4.92 4.32 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.476 1.777 . . . . 0.0 111.007 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 3.2 mmt-85 -115.96 40.8 2.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.326 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.803 HG22 ' HZ1' ' A' ' 113' ' ' LYS . 16.6 p -126.63 167.12 16.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.367 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.547 ' O ' HD13 ' A' ' 125' ' ' ILE . 5.1 t-160 -163.89 -179.06 6.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.599 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -94.39 137.89 32.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 111.031 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 102.9 -6.97 52.31 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.453 1.095 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -80.21 161.2 25.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 0.773 . . . . 0.0 110.288 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.39 8.57 42.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.444 ' CB ' ' CE ' ' A' ' 113' ' ' LYS . . . -91.37 -50.39 5.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.246 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.547 HD13 ' O ' ' A' ' 119' ' ' HIS . 1.0 OUTLIER -64.87 -25.25 37.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 84.5 mt -74.19 106.83 6.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.575 ' CE1' ' HA2' ' A' ' 105' ' ' GLY . 0.7 OUTLIER -122.94 145.81 48.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 111.025 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.854 HD23 ' HD2' ' A' ' 129' ' ' PRO . 0.6 OUTLIER -127.64 117.73 21.18 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 129' ' ' PRO . . . . . 0.854 ' HD2' HD23 ' A' ' 128' ' ' LEU . 18.3 Cg_endo -75.02 118.67 5.34 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.504 1.791 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.502 ' CD2' ' O ' ' A' ' 128' ' ' LEU . 3.9 mm? -100.23 149.14 35.78 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 141.24 26.33 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.498 1.788 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.521 ' CG2' HD11 ' A' ' 8' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.899 ' O ' HG12 ' A' ' 132' ' ' VAL . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.906 0 N-CA-C 110.977 -0.432 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.461 ' CB ' ' O ' ' A' ' 130' ' ' LEU . 0.0 OUTLIER -144.91 170.49 16.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.688 ' N ' HD22 ' A' ' 8' ' ' LEU . 0.1 OUTLIER -110.16 148.27 32.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.574 ' HB3' ' CE1' ' A' ' 127' ' ' PHE . 2.5 mp -92.06 104.08 16.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -72.64 101.92 3.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 111.0 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.505 ' HB2' HD12 ' A' ' 106' ' ' LEU . 42.5 t -79.92 70.48 6.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 108.231 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 11' ' ' CYS . 78.7 p -36.35 -33.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.122 . . . . 0.0 110.019 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 11' ' ' CYS . 6.7 t30 -40.46 -50.38 2.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.408 ' O ' ' NE2' ' A' ' 16' ' ' HIS . . . -141.93 13.46 2.62 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.503 1.127 . . . . 0.0 110.969 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.517 ' O ' ' CG ' ' A' ' 16' ' ' HIS . . . 57.21 91.59 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.517 ' CG ' ' O ' ' A' ' 15' ' ' GLY . 93.8 m-70 -158.65 160.99 37.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.449 0.735 . . . . 0.0 109.611 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.63 ' CD1' ' CB ' ' A' ' 8' ' ' LEU . 16.9 m-85 -109.54 142.07 41.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 0.0 111.006 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.689 ' CD1' HD21 ' A' ' 106' ' ' LEU . 11.9 tp -79.21 112.79 16.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.838 ' HB3' HG22 ' A' ' 37' ' ' ILE . 2.0 ptm180 -117.68 151.8 36.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 110.289 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.2 mt -124.85 116.68 47.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.46 HD12 ' CG2' ' A' ' 25' ' ' THR . 26.5 mt -78.63 157.51 77.02 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.13 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -4.04 14.82 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.495 1.787 . . . . 0.0 111.025 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.09 6.92 47.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.74 46.82 10.61 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.527 1.142 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.46 ' CG2' HD12 ' A' ' 21' ' ' LEU . 1.2 m -126.6 147.51 49.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 110.364 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.3 t -130.37 120.83 49.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -147.91 161.44 41.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -89.88 153.57 23.17 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.545 1.153 . . . . 0.0 111.006 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.6 t -162.37 125.2 2.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 0.742 . . . . 0.0 110.386 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.48 54.46 1.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -143.18 86.3 1.9 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.265 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.462 ' O ' ' C ' ' A' ' 33' ' ' SER . 1.2 mpp_? -41.13 -41.62 1.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.462 ' C ' ' O ' ' A' ' 32' ' ' ARG . 0.3 OUTLIER -34.47 -36.71 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.979 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 32' ' ' ARG . 0.4 OUTLIER -57.7 132.38 53.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.256 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -104.1 21.17 16.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 36.4 m80 -120.48 14.34 11.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.65 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.838 HG22 ' HB3' ' A' ' 19' ' ' ARG . 15.7 pt -102.87 -35.63 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.421 ' HG2' HG11 ' A' ' 132' ' ' VAL . 58.4 mt-30 -46.68 97.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.618 HD23 ' HA ' ' A' ' 53' ' ' SER . 15.2 mt -103.78 146.74 28.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.52 ' HG3' HG21 ' A' ' 54' ' ' THR . 0.0 OUTLIER -105.75 119.95 40.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 0.0 110.296 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.05 136.27 39.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.9 m -137.26 158.83 43.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.002 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -122.4 124.44 43.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.437 ' CG ' ' CD2' ' A' ' 50' ' ' TYR . 3.8 mm-40 -104.48 -52.64 2.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.091 . . . . 0.0 110.336 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -128.22 162.66 26.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.007 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.4 p -57.92 122.42 7.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 109.267 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.73 16.28 79.4 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.546 1.154 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.555 ' HB3' HD11 ' A' ' 79' ' ' LEU . 9.4 mt-10 -127.11 133.48 50.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 0.751 . . . . 0.0 110.312 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.0 m -140.8 147.52 22.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.437 ' CD2' ' CG ' ' A' ' 44' ' ' GLU . 0.7 OUTLIER -115.67 145.32 42.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.997 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.422 ' CG2' HD13 ' A' ' 39' ' ' LEU . 8.0 mt -126.43 113.19 32.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.405 ' HG2' ' N ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -131.79 143.03 49.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.618 ' HA ' HD23 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -78.32 136.65 37.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.038 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.52 HG21 ' HG3' ' A' ' 40' ' ' GLN . 79.4 p -94.77 19.55 9.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.418 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.497 ' OE2' ' N ' ' A' ' 54' ' ' THR . 1.1 pm0 -112.76 -63.31 1.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.9 p -88.1 -46.87 8.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.356 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 108.0 38.69 1.96 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.502 1.126 . . . . 0.0 110.994 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -111.88 144.91 40.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 0.774 . . . . 0.0 110.3 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 5.2 m-30 -92.99 139.83 30.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.9 tp -77.0 117.29 18.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -139.14 150.84 46.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 109.243 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 51.2 ttm -104.18 120.58 41.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 110.953 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -71.74 -179.49 2.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 37.9 p -78.32 -6.05 53.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.41 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.46 -16.3 40.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.347 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 99.23 -9.91 61.39 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.428 ' N ' HD13 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -87.1 157.72 19.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 0.755 . . . . 0.0 109.29 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.667 HD11 HG13 ' A' ' 104' ' ' VAL . 5.3 mt -96.37 144.4 26.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.557 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 1.8 p90 -153.18 160.76 42.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -89.09 122.55 6.47 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.482 1.114 . . . . 0.0 110.98 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.6 t -86.73 139.86 30.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 0.0 110.001 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -70.52 -34.44 72.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.9 p -121.77 158.35 54.68 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.402 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 112.25 3.52 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.51 1.795 . . . . 0.0 111.013 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -126.98 154.46 44.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.337 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -48.7 -23.76 1.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.434 1.084 . . . . 0.0 110.277 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -64.95 -24.0 67.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.157 . . . . 0.0 110.266 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 32.4 m -82.78 -16.47 47.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 108.263 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.555 HD11 ' HB3' ' A' ' 48' ' ' GLU . 3.2 tp -87.37 129.31 35.07 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.41 ' HA ' ' O ' ' A' ' 93' ' ' ILE . 13.6 m-85 -128.53 164.43 22.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.516 HD21 ' HA ' ' A' ' 95' ' ' LYS . 0.6 OUTLIER -104.13 131.38 51.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.2 145.36 35.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.331 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -147.78 163.9 35.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.511 HD13 ' N ' ' A' ' 85' ' ' GLU . 0.2 OUTLIER -102.76 127.52 49.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.511 ' N ' HD13 ' A' ' 84' ' ' LEU . 3.3 mm-40 -97.95 164.45 12.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -89.11 40.59 0.99 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 110.335 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -143.61 19.6 1.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.505 ' O ' HD11 ' A' ' 128' ' ' LEU . 0.8 OUTLIER 62.27 21.83 12.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.559 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.816 ' CD1' HD13 ' A' ' 128' ' ' LEU . 4.3 m-85 -117.34 160.98 20.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -114.7 156.47 24.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.456 HG22 ' O ' ' A' ' 125' ' ' ILE . 1.0 OUTLIER -131.54 156.69 45.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 110.358 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -140.39 132.84 28.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 110.988 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.703 HD11 ' CE2' ' A' ' 103' ' ' PHE . 59.0 mt -130.74 141.62 45.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.61 138.93 56.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.013 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.516 ' HA ' HD21 ' A' ' 81' ' ' LEU . 9.8 tttt -66.42 -66.5 0.54 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.472 ' HB3' ' CD2' ' A' ' 97' ' ' HIS . 15.7 mttt -48.14 -27.41 2.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.345 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.519 ' CD2' ' N ' ' A' ' 97' ' ' HIS . 0.5 OUTLIER -122.96 52.02 1.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.632 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -91.41 -37.49 13.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.097 . . . . 0.0 109.253 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -72.51 -19.18 61.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.311 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.473 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 3.3 mtpt -81.66 -2.73 51.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 48.14 64.88 1.48 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.473 ' CD1' ' O ' ' A' ' 100' ' ' LYS . 46.9 m0 -111.67 131.89 54.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 107.981 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.703 ' CE2' HD11 ' A' ' 93' ' ' ILE . 86.0 m-85 -114.99 146.34 41.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.667 HG13 HD11 ' A' ' 68' ' ' LEU . 79.6 t -64.81 -91.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.459 ' N ' HG12 ' A' ' 104' ' ' VAL . . . 53.01 169.2 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.532 1.145 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.905 HD23 ' HA ' ' A' ' 112' ' ' CYS . 3.5 mt -138.55 135.53 35.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 0.781 . . . . 0.0 109.292 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 111' ' ' SER . 6.4 mttt -53.62 -173.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -88.98 -6.94 56.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -91.74 7.17 43.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 73.96 36.78 51.45 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.46 1.1 . . . . 0.0 111.017 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 107' ' ' LYS . 3.6 m -128.18 165.75 19.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 0.785 . . . . 0.0 110.013 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' CYS . . . . . 0.905 ' HA ' HD23 ' A' ' 106' ' ' LEU . 24.4 p -73.52 135.01 43.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 108.336 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.868 ' HE3' HG22 ' A' ' 118' ' ' THR . 30.8 ttpt -90.93 129.37 36.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.519 ' O ' HG23 ' A' ' 118' ' ' THR . 0.6 OUTLIER -38.15 150.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.578 ' N ' ' CD ' ' A' ' 116' ' ' PRO . . . -78.85 -46.54 8.39 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 115' ' ' GLY . 18.1 Cg_endo -75.03 3.43 5.64 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.474 1.776 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -119.1 44.04 2.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.142 . . . . 0.0 110.256 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.868 HG22 ' HE3' ' A' ' 113' ' ' LYS . 16.5 p -124.5 166.94 15.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.433 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -174.15 177.76 2.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.585 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -91.32 123.67 34.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 130.4 -17.01 5.37 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.464 1.103 . . . . 0.0 111.052 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -85.62 147.68 26.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 0.772 . . . . 0.0 110.305 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.405 ' C ' ' OD1' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -92.45 26.83 2.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -102.39 -46.16 4.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.456 ' O ' HG22 ' A' ' 91' ' ' THR . 6.9 pt -63.7 -28.06 44.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.453 ' HB3' ' CG ' ' A' ' 89' ' ' TYR . 19.8 mt -70.87 134.44 47.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.574 ' CE1' ' HB3' ' A' ' 9' ' ' LEU . 0.5 OUTLIER -137.59 154.43 49.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.961 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.816 HD13 ' CD1' ' A' ' 89' ' ' TYR . 4.9 tp -134.24 109.14 11.46 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' PRO . . . . . 0.445 ' HA ' ' O ' ' A' ' 8' ' ' LEU . 18.2 Cg_endo -75.01 122.7 7.37 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.556 1.819 . . . . 0.0 110.986 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.491 ' CD2' ' O ' ' A' ' 128' ' ' LEU . 3.8 mm? -103.06 140.0 20.64 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 130' ' ' LEU . 18.3 Cg_endo -74.95 103.91 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.477 1.778 . . . . 0.0 111.022 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.899 HG12 ' O ' ' A' ' 6' ' ' PRO . 2.5 p . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.44 ' O ' HG12 ' A' ' 132' ' ' VAL . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.841 0 N-CA-C 110.973 -0.433 . . . . 0.0 110.973 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.9 mttm -144.64 152.92 41.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.631 ' N ' HD22 ' A' ' 8' ' ' LEU . 0.3 OUTLIER -114.07 151.13 32.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.288 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.599 HD23 ' HB3' ' A' ' 18' ' ' LEU . 1.9 mm? -95.96 129.12 43.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -100.73 120.35 39.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 111.01 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 12' ' ' SER . 49.1 t -103.9 72.51 1.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 108.282 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 11' ' ' CYS . 1.9 t -35.61 -38.01 0.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.11 . . . . 0.0 110.012 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' A' ' 12' ' ' SER . 41.6 t30 -38.44 -56.93 1.2 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -117.08 -35.07 1.15 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.538 1.149 . . . . 0.0 111.018 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 11' ' ' CYS . . . 96.77 50.34 1.82 Allowed Glycine 0 CA--C 1.53 1.031 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.551 ' CD2' ' HA2' ' A' ' 110' ' ' GLY . 23.4 m80 -120.31 149.98 41.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 0.771 . . . . 0.0 109.577 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.585 ' CE2' ' HG3' ' A' ' 32' ' ' ARG . 3.7 m-85 -96.55 139.79 32.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 111.024 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.599 ' HB3' HD23 ' A' ' 9' ' ' LEU . 11.6 tp -79.1 114.99 18.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.886 ' HB3' HG22 ' A' ' 37' ' ' ILE . 5.5 ptm180 -125.64 154.62 42.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.578 1.174 . . . . 0.0 110.302 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.568 HD11 ' HB2' ' A' ' 60' ' ' LEU . 56.0 mt -124.16 121.66 62.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.142 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.521 HD12 ' HB ' ' A' ' 25' ' ' THR . 28.4 mt -86.08 157.63 56.62 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 0.36 9.02 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.523 1.801 . . . . 0.0 110.983 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.71 -0.34 40.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.339 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.23 43.05 7.67 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.447 1.092 . . . . 0.0 110.956 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.521 ' HB ' HD12 ' A' ' 21' ' ' LEU . 2.4 m -126.84 147.28 50.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 0.772 . . . . 0.0 110.389 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.664 HG13 ' O ' ' A' ' 19' ' ' ARG . 5.2 t -135.62 122.97 35.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.461 ' OD1' HG22 ' A' ' 25' ' ' THR . 0.0 OUTLIER -146.23 162.92 37.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -89.16 140.16 15.59 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.479 1.112 . . . . 0.0 111.047 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.1 t -136.6 162.44 33.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 0.75 . . . . 0.0 110.427 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.472 ' HE ' ' CD2' ' A' ' 16' ' ' HIS . 78.9 mtt180 -123.16 42.08 3.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 33' ' ' SER . 4.7 t0 -133.05 70.9 1.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.585 ' HG3' ' CE2' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -38.03 -31.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.31 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 31' ' ' ASP . 0.3 OUTLIER -46.77 -38.28 9.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.0 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.714 ' OD2' HG23 ' A' ' 37' ' ' ILE . 21.9 t70 -43.8 143.63 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -102.6 -25.51 13.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.281 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 54.7 m80 -65.24 -31.47 72.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.618 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.886 HG22 ' HB3' ' A' ' 19' ' ' ARG . 44.3 pt -59.85 -36.21 65.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.422 ' HG2' HG11 ' A' ' 132' ' ' VAL . 56.6 mt-30 -46.78 95.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.277 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.734 HD23 ' HA ' ' A' ' 53' ' ' SER . 37.7 mt -106.32 140.84 38.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.819 ' HG2' HG22 ' A' ' 54' ' ' THR . 0.0 OUTLIER -104.99 114.56 28.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.128 . . . . 0.0 110.35 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.861 ' CD1' HG23 ' A' ' 51' ' ' ILE . 0.3 OUTLIER -91.83 135.99 33.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.416 ' O ' ' HA ' ' A' ' 49' ' ' VAL . 6.5 m -133.34 161.02 35.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 110.026 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -120.37 129.47 53.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.414 ' CG ' ' CD2' ' A' ' 50' ' ' TYR . 4.2 mm-40 -112.2 -52.66 2.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.7 165.63 20.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.98 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.8 p -60.05 121.27 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.421 ' O ' HD12 ' A' ' 81' ' ' LEU . . . 76.65 23.96 68.7 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.532 1.145 . . . . 0.0 110.971 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.583 ' HB3' HD11 ' A' ' 79' ' ' LEU . 14.9 mt-10 -133.64 133.31 41.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 0.781 . . . . 0.0 110.318 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.416 ' HA ' ' O ' ' A' ' 42' ' ' SER . 6.2 m -140.91 148.45 21.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.157 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.414 ' CD2' ' CG ' ' A' ' 44' ' ' GLU . 0.9 OUTLIER -116.32 131.98 56.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 111.009 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.861 HG23 ' CD1' ' A' ' 41' ' ' LEU . 6.5 mt -117.69 113.22 41.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -133.86 152.8 51.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.734 ' HA ' HD23 ' A' ' 39' ' ' LEU . 0.3 OUTLIER -78.89 137.26 37.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.819 HG22 ' HG2' ' A' ' 40' ' ' GLN . 71.5 p -88.31 -10.05 50.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.465 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.43 -73.93 0.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 110.274 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 82.2 p -69.41 -66.24 0.61 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.45 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 122.82 47.55 0.26 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.477 1.111 . . . . 0.0 110.998 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -125.03 136.11 53.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 0.732 . . . . 0.0 110.315 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -79.7 144.15 33.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 0.0 111.003 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.568 ' HB2' HD11 ' A' ' 20' ' ' ILE . 8.7 tp -77.37 119.41 20.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.544 ' HB2' ' SG ' ' A' ' 78' ' ' CYS . . . -138.35 147.77 43.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.133 . . . . 0.0 109.254 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 31.6 ttm -104.21 116.3 31.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 111.029 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.59 ' OD2' ' CD2' ' A' ' 69' ' ' TYR . 1.0 OUTLIER -66.9 -171.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 61.5 p -83.06 -15.35 51.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.403 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.673 ' HB3' HD22 ' A' ' 67' ' ' LEU . 4.3 m-20 -77.88 -8.56 58.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.7 -13.67 65.09 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.486 1.116 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.673 HD22 ' HB3' ' A' ' 65' ' ' ASP . 0.3 OUTLIER -78.83 156.48 28.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 0.753 . . . . 0.0 109.321 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.735 HD21 HG22 ' A' ' 104' ' ' VAL . 3.8 mt -95.84 142.18 28.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.267 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.59 ' CD2' ' OD2' ' A' ' 63' ' ' ASP . 1.5 p90 -151.68 155.03 37.5 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -88.21 128.22 8.96 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.1 t -92.01 139.99 30.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 0.742 . . . . 0.0 109.999 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -62.3 -37.62 86.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.309 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.4 p -123.48 160.25 51.51 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.378 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 111.14 3.26 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.523 1.801 . . . . 0.0 111.029 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -123.53 157.21 34.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.308 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -50.87 -24.57 3.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 110.287 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -69.14 -11.01 60.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.544 ' SG ' ' HB2' ' A' ' 61' ' ' ALA . 34.7 m -97.64 -15.04 20.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 108.337 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.583 HD11 ' HB3' ' A' ' 48' ' ' GLU . 3.4 tp -84.89 122.91 29.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -124.4 164.36 19.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.64 HD22 ' N ' ' A' ' 81' ' ' LEU . 0.3 OUTLIER -104.24 128.02 51.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.413 ' HG2' ' N ' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -109.15 143.91 37.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 110.304 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.413 ' N ' ' HG2' ' A' ' 82' ' ' GLU . 0.1 OUTLIER -142.95 165.73 26.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.348 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.48 113.81 25.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.475 ' HG3' ' CG2' ' A' ' 91' ' ' THR . 2.4 mm-40 -102.72 165.44 11.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.34 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -66.54 178.8 1.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.358 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.402 ' HB3' ' CE2' ' A' ' 89' ' ' TYR . 25.6 m-20 61.9 15.06 6.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 57.47 70.37 0.66 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.611 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.626 ' CE1' HD12 ' A' ' 128' ' ' LEU . 18.0 m-85 -144.1 164.87 29.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.967 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -122.4 153.31 39.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.475 ' CG2' ' HG3' ' A' ' 85' ' ' GLU . 18.5 p -129.96 163.45 26.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.371 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -146.7 133.74 20.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.978 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.588 ' O ' HD22 ' A' ' 81' ' ' LEU . 32.9 mt -134.08 137.1 52.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.1 t -64.36 138.17 58.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.983 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.51 ' HA ' HD21 ' A' ' 81' ' ' LEU . 0.7 OUTLIER -64.75 -70.07 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.259 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -46.24 -29.28 1.54 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -122.24 54.72 1.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.58 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.45 ' HA ' ' CG2' ' A' ' 93' ' ' ILE . . . -92.02 -35.95 13.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -73.78 -19.63 60.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.566 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 1.1 mtpt -77.65 -4.01 43.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 47.57 64.16 1.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.566 ' CD1' ' O ' ' A' ' 100' ' ' LYS . 49.3 m0 -112.6 132.51 55.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 107.968 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.583 ' CE2' HD11 ' A' ' 93' ' ' ILE . 95.4 m-85 -114.33 148.89 36.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.735 HG22 HD21 ' A' ' 68' ' ' LEU . 31.3 t -73.53 -21.56 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.493 ' C ' ' O ' ' A' ' 104' ' ' VAL . . . -30.31 145.08 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.515 1.134 . . . . 0.0 111.013 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.75 HD23 ' HA ' ' A' ' 112' ' ' CYS . 1.6 mt -106.63 148.68 28.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 0.78 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 111' ' ' SER . 3.4 mtpt -55.7 -168.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.407 ' CG ' ' O ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -104.13 -9.72 18.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 23.1 m-20 -91.91 23.63 3.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.311 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.551 ' HA2' ' CD2' ' A' ' 16' ' ' HIS . . . 63.48 41.41 99.28 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.423 1.077 . . . . 0.0 111.028 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.481 ' O ' ' N ' ' A' ' 107' ' ' LYS . 4.8 m -137.84 164.85 27.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 0.77 . . . . 0.0 110.033 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' CYS . . . . . 0.75 ' HA ' HD23 ' A' ' 106' ' ' LEU . 26.8 p -75.62 135.16 40.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 108.261 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.654 ' HD3' HG22 ' A' ' 118' ' ' THR . 13.5 tttt -91.28 112.93 25.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.309 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 113' ' ' LYS . 0.1 OUTLIER -36.62 130.23 0.75 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.498 ' N ' ' CD ' ' A' ' 116' ' ' PRO . . . -46.13 -51.31 11.51 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 115' ' ' GLY . 18.2 Cg_endo -74.95 7.68 2.74 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.475 1.776 . . . . 0.0 110.996 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 7.1 mmt180 -122.17 42.72 3.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.331 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.654 HG22 ' HD3' ' A' ' 113' ' ' LYS . 14.1 p -129.56 167.47 17.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 110.393 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.729 ' O ' HD13 ' A' ' 125' ' ' ILE . 55.5 m80 -147.47 173.04 13.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.153 . . . . 0.0 109.596 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.478 ' HA ' ' CD1' ' A' ' 125' ' ' ILE . 1.6 t80 -94.44 137.2 33.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 111.014 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' GLY . . . . . 0.534 ' H ' HD11 ' A' ' 125' ' ' ILE . . . 87.11 15.66 62.26 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.467 1.105 . . . . 0.0 111.024 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -96.31 136.89 36.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 0.786 . . . . 0.0 110.312 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.648 ' HA ' HD12 ' A' ' 126' ' ' LEU . 0.6 OUTLIER -57.28 -17.35 11.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -69.47 -62.05 1.54 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.729 HD13 ' O ' ' A' ' 119' ' ' HIS . 1.3 pt -58.54 -33.45 48.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.648 HD12 ' HA ' ' A' ' 123' ' ' LYS . 52.1 mt -62.25 100.79 0.19 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.095 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.551 ' CD1' ' HB3' ' A' ' 9' ' ' LEU . 1.6 m-85 -109.14 132.78 53.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 0.0 110.994 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.867 HD23 ' HD2' ' A' ' 129' ' ' PRO . 0.8 OUTLIER -116.39 120.25 35.09 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 129' ' ' PRO . . . . . 0.867 ' HD2' HD23 ' A' ' 128' ' ' LEU . 18.2 Cg_endo -75.04 122.96 7.52 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.458 1.767 . . . . 0.0 111.03 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 36.9 mt -106.26 150.76 39.81 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 154.89 43.01 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.536 1.809 . . . . 0.0 111.02 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.581 ' HB ' HD21 ' A' ' 8' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.48 ' O ' HG12 ' A' ' 132' ' ' VAL . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.91 0 N-CA-C 111.028 -0.412 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -135.17 162.37 32.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.813 HD22 HD12 ' A' ' 37' ' ' ILE . 0.4 OUTLIER -118.15 143.89 46.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.769 HD21 ' CE2' ' A' ' 92' ' ' TYR . 2.9 mp -92.19 127.79 37.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 109.346 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.465 ' HB2' ' CD2' ' A' ' 130' ' ' LEU . 34.3 t80 -104.72 119.3 38.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 0.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 13' ' ' ASN . 42.3 t -96.91 77.18 2.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 108.325 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 11' ' ' CYS . 25.1 p -37.74 -31.88 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.986 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 11' ' ' CYS . 23.9 t30 -40.47 -67.43 0.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 109.246 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.41 ' CA ' ' HG2' ' A' ' 108' ' ' LYS . . . -116.01 -20.17 5.34 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.518 1.137 . . . . 0.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.476 ' O ' ' CG ' ' A' ' 16' ' ' HIS . . . 85.75 95.44 0.78 Allowed Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.582 ' CD2' ' HB2' ' A' ' 30' ' ' ARG . 73.2 m80 -158.13 178.18 10.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 0.751 . . . . 0.0 109.597 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.41 ' CE2' ' HG2' ' A' ' 32' ' ' ARG . 10.6 m-85 -127.21 141.91 51.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.981 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.717 ' CD1' HD21 ' A' ' 106' ' ' LEU . 11.9 tp -79.12 114.04 17.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.859 ' HD2' HD21 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -118.56 151.65 37.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 110.347 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.708 HD11 ' HB2' ' A' ' 60' ' ' LEU . 13.3 mt -122.5 108.21 21.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.859 HD21 ' HD2' ' A' ' 19' ' ' ARG . 34.9 mt -83.02 157.5 66.07 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -0.65 10.23 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.481 1.779 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.52 -8.61 28.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.169 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 88.86 47.96 4.03 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.459 1.1 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.624 ' HB ' HD12 ' A' ' 21' ' ' LEU . 3.0 m -126.11 134.47 51.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 0.763 . . . . 0.0 110.422 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.482 HG11 ' CD1' ' A' ' 60' ' ' LEU . 2.8 t -132.87 106.01 9.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.407 ' OD2' ' CG2' ' A' ' 25' ' ' THR . 0.6 OUTLIER -150.39 162.16 41.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.43 130.63 15.8 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.494 ' O ' ' C ' ' A' ' 30' ' ' ARG . 4.4 t -120.03 -5.38 10.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 0.0 110.41 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.582 ' HB2' ' CD2' ' A' ' 16' ' ' HIS . 17.4 ttt180 31.39 40.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 29' ' ' THR . 0.4 OUTLIER -132.64 109.75 9.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.41 ' HG2' ' CE2' ' A' ' 17' ' ' PHE . 5.1 mtm-85 -70.26 -22.86 62.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.86 -43.71 77.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.973 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.46 144.4 4.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.117 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -108.05 0.95 22.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.291 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.478 ' CD2' ' HG2' ' A' ' 55' ' ' GLU . 7.0 m80 -99.89 0.4 41.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.553 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.813 HD12 HD22 ' A' ' 8' ' ' LEU . 10.3 pt -85.42 -34.35 8.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -54.31 92.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.336 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.581 HD21 ' CD1' ' A' ' 20' ' ' ILE . 26.6 mt -98.31 146.6 25.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.449 ' HB2' ' CG2' ' A' ' 54' ' ' THR . 0.0 OUTLIER -105.73 115.5 30.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 110.276 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.42 135.93 34.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.346 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.4 ' O ' ' HA ' ' A' ' 49' ' ' VAL . 29.7 t -131.78 163.28 28.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.996 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -122.66 127.19 48.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -113.98 -44.99 3.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.127 . . . . 0.0 110.289 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.21 166.2 18.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.971 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 77.9 t -68.79 114.4 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.401 ' O ' ' HA ' ' A' ' 81' ' ' LEU . . . 90.11 5.73 70.04 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.43 1.082 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.926 ' HG2' HD23 ' A' ' 81' ' ' LEU . 11.0 mt-10 -120.17 142.19 49.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 0.732 . . . . 0.0 110.252 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 42' ' ' SER . 36.0 m -138.06 151.4 25.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -118.84 133.22 55.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.8 mt -117.61 117.21 54.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.555 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 0.1 OUTLIER -127.25 152.81 46.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.255 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.8 t -81.5 137.03 35.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.988 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.449 ' CG2' ' HB2' ' A' ' 40' ' ' GLN . 35.6 p -101.29 4.52 41.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.401 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.478 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 46.5 tp10 -109.62 -80.99 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.262 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.467 ' OG1' ' N ' ' A' ' 57' ' ' GLY . 62.3 p -59.06 -77.35 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.423 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.467 ' N ' ' OG1' ' A' ' 56' ' ' THR . . . 141.39 44.75 0.06 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.456 1.098 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -129.32 160.08 34.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 0.773 . . . . 0.0 110.32 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.555 ' CD1' ' HG2' ' A' ' 52' ' ' LYS . 5.2 m-30 -104.59 143.23 33.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 111.022 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.708 ' HB2' HD11 ' A' ' 20' ' ' ILE . 3.9 tp -77.34 110.47 12.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.466 ' HB2' ' SG ' ' A' ' 78' ' ' CYS . . . -140.73 154.34 46.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.504 ' HE2' HD21 ' A' ' 68' ' ' LEU . 5.0 tpp -104.69 131.1 52.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.404 ' CG ' ' CE2' ' A' ' 69' ' ' TYR . 0.4 OUTLIER -82.45 -168.4 1.98 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.5 p -82.97 -1.04 51.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.407 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -91.8 -6.06 52.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.424 ' C ' HD13 ' A' ' 67' ' ' LEU . . . 82.56 7.7 87.12 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.5 1.125 . . . . 0.0 111.028 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.424 HD13 ' C ' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -101.66 168.42 9.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 0.787 . . . . 0.0 109.314 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.538 HD21 HG22 ' A' ' 104' ' ' VAL . 7.5 mt -106.3 140.63 38.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.535 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 3.3 p90 -146.19 154.33 41.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 110.983 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -75.56 111.08 3.23 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.507 1.13 . . . . 0.0 110.979 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.07 131.82 34.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 0.801 . . . . 0.0 109.99 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -72.49 -51.86 18.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 110.303 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.6 p -98.83 156.58 35.4 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.392 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 115.33 4.26 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.462 1.77 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -127.0 151.93 47.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 109.274 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -45.85 -31.09 1.94 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.117 . . . . 0.0 110.325 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.553 ' O ' ' CE1' ' A' ' 80' ' ' PHE . 46.5 mt-10 -59.07 -32.53 69.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.305 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.466 ' SG ' ' HB2' ' A' ' 61' ' ' ALA . 61.7 m -72.63 -17.54 61.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.56 1.162 . . . . 0.0 108.277 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.588 HD11 ' HB3' ' A' ' 48' ' ' GLU . 2.5 tp -90.57 117.83 29.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.553 ' CE1' ' O ' ' A' ' 77' ' ' GLU . 23.9 m-85 -118.76 164.13 15.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.926 HD23 ' HG2' ' A' ' 48' ' ' GLU . 4.5 mt -104.19 127.17 51.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -108.68 148.41 30.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 110.255 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.74 166.63 30.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 110.326 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.474 HD13 ' N ' ' A' ' 85' ' ' GLU . 0.7 OUTLIER -95.63 121.64 37.54 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.568 ' HG3' HG23 ' A' ' 91' ' ' THR . 1.2 mm-40 -112.33 161.52 16.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.27 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -63.69 175.57 1.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.4 m-20 63.54 13.45 7.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 2.7 t60 60.22 63.8 1.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.137 . . . . 0.0 109.595 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.553 ' CE1' HD12 ' A' ' 128' ' ' LEU . 2.7 m-85 -142.89 152.57 42.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.965 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -113.72 155.18 26.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.568 HG23 ' HG3' ' A' ' 85' ' ' GLU . 31.5 p -126.95 163.25 24.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 110.407 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.769 ' CE2' HD21 ' A' ' 9' ' ' LEU . 45.3 m-85 -142.24 133.18 25.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 111.037 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.597 HD11 ' CE2' ' A' ' 103' ' ' PHE . 46.1 mt -137.3 139.21 44.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.8 t -61.99 138.27 58.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.964 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 24.7 tttt -73.66 -48.73 30.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.51 ' HB3' ' CD2' ' A' ' 97' ' ' HIS . 0.7 OUTLIER -63.63 -27.62 69.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.527 ' CD2' ' N ' ' A' ' 97' ' ' HIS . 0.5 OUTLIER -121.13 37.8 4.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.597 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.54 -44.39 82.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -69.77 -12.2 61.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.321 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.534 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 13.2 mttt -83.11 -9.84 59.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.452 1.095 . . . . 0.0 109.345 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 49.61 63.67 2.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.534 ' CD1' ' O ' ' A' ' 100' ' ' LYS . 48.3 m0 -112.97 132.18 55.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 108.009 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.597 ' CE2' HD11 ' A' ' 93' ' ' ILE . 84.2 m-85 -114.25 149.16 36.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.538 HG22 HD21 ' A' ' 68' ' ' LEU . 23.8 t -75.15 -22.0 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.519 ' HA2' ' CE2' ' A' ' 127' ' ' PHE . . . -32.93 147.94 0.01 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.493 1.121 . . . . 0.0 110.984 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.717 HD21 ' CD1' ' A' ' 18' ' ' LEU . 1.0 OUTLIER -107.29 154.13 21.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 0.766 . . . . 0.0 109.318 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 111' ' ' SER . 34.3 mttm -60.97 -164.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.41 ' HG2' ' CA ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER -108.8 -6.23 15.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.26 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -92.69 5.01 52.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 84.26 31.83 24.39 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.513 1.133 . . . . 0.0 111.014 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.471 ' O ' ' N ' ' A' ' 107' ' ' LYS . 95.7 p -129.82 167.53 17.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 0.786 . . . . 0.0 109.99 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 16.1 p -76.2 135.55 39.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 108.288 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.731 ' CD ' HG22 ' A' ' 118' ' ' THR . 9.8 ttmm -89.78 114.48 26.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.336 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 113' ' ' LYS . 0.8 OUTLIER -38.85 131.78 1.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 110.267 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.543 ' N ' ' CD ' ' A' ' 116' ' ' PRO . . . -52.77 -48.53 56.57 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.461 1.1 . . . . 0.0 111.027 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.543 ' CD ' ' N ' ' A' ' 115' ' ' GLY . 18.4 Cg_endo -75.01 6.01 3.65 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.513 1.796 . . . . 0.0 110.973 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -116.42 8.27 14.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.306 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.731 HG22 ' CD ' ' A' ' 113' ' ' LYS . 1.3 p -114.52 152.55 31.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 110.412 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -163.1 -166.52 1.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.629 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -89.18 135.86 33.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 115.73 -14.51 17.27 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.53 1.144 . . . . 0.0 110.95 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -87.95 153.45 21.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 0.761 . . . . 0.0 110.343 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -95.74 20.66 9.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -99.9 -45.31 5.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.565 ' HB ' ' CD2' ' A' ' 103' ' ' PHE . 5.1 pt -56.89 -32.43 38.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 42.4 mt -62.54 123.81 19.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.571 ' CE1' ' HB3' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -137.89 137.05 37.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.985 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.857 HD23 ' HD2' ' A' ' 129' ' ' PRO . 0.7 OUTLIER -121.87 120.73 28.4 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 129' ' ' PRO . . . . . 0.857 ' HD2' HD23 ' A' ' 128' ' ' LEU . 18.2 Cg_endo -74.98 106.81 2.35 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.503 1.791 . . . . 0.0 111.01 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.56 HD22 ' O ' ' A' ' 128' ' ' LEU . 2.7 mm? -87.41 149.02 45.85 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.351 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 130' ' ' LEU . 18.2 Cg_endo -74.99 133.14 16.24 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.51 1.794 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.521 ' CG2' HD11 ' A' ' 8' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.896 0 N-CA-C 111.027 -0.413 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.623 ' HB3' HD22 ' A' ' 41' ' ' LEU . 1.3 tppt? -141.88 165.37 27.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.467 ' O ' ' HA ' ' A' ' 129' ' ' PRO . 15.2 mt -124.44 137.9 54.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.744 ' CD1' HD21 ' A' ' 41' ' ' LEU . 1.9 mp -92.3 107.51 19.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.336 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.467 ' O ' ' CD1' ' A' ' 127' ' ' PHE . 20.5 t80 -86.23 152.01 23.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.461 ' O ' ' N ' ' A' ' 15' ' ' GLY . 43.9 t -130.26 77.09 1.77 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 108.298 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 11' ' ' CYS . 11.1 p -35.12 -35.7 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.982 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 11' ' ' CYS . 24.9 t30 -42.0 -51.9 4.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -122.05 -36.37 0.71 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 11' ' ' CYS . . . 95.35 68.54 1.02 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 29.5 m80 -141.81 171.82 13.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 0.781 . . . . 0.0 109.618 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -111.27 141.92 44.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 111.022 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.812 ' CD1' HD21 ' A' ' 106' ' ' LEU . 13.0 tp -80.12 110.51 15.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.928 ' HB3' HG22 ' A' ' 37' ' ' ILE . 3.7 ptm180 -111.44 152.17 27.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.271 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.519 HD11 ' HB2' ' A' ' 60' ' ' LEU . 12.9 mt -124.37 118.58 54.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.62 HD12 ' HB ' ' A' ' 25' ' ' THR . 20.2 mt -85.16 156.77 60.06 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -3.1 13.42 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.498 1.789 . . . . 0.0 111.01 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.79 -2.31 51.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.48 41.88 7.64 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.536 1.148 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.62 ' HB ' HD12 ' A' ' 21' ' ' LEU . 3.0 m -122.36 147.7 45.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 0.771 . . . . 0.0 110.374 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 15.0 t -129.53 120.2 50.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -144.86 162.22 37.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -91.65 152.37 21.43 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.512 1.132 . . . . 0.0 111.03 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.67 ' CG2' HG21 ' A' ' 37' ' ' ILE . 5.9 t -156.36 126.54 6.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 0.0 110.383 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.6 ttt-85 -101.35 55.88 0.84 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.254 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' A' ' 33' ' ' SER . 1.7 t0 -143.99 101.96 3.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -68.47 60.55 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 31' ' ' ASP . 0.1 OUTLIER -134.25 -46.55 0.77 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.986 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.4 ' HB3' HG23 ' A' ' 37' ' ' ILE . 1.1 t0 -44.35 132.68 5.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -90.63 28.74 1.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 3.4 m80 -126.32 -44.26 1.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 0.0 109.612 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.928 HG22 ' HB3' ' A' ' 19' ' ' ARG . 41.3 pt -46.88 -28.64 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -62.16 82.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 110.34 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.844 HD23 ' HA ' ' A' ' 53' ' ' SER . 18.8 mt -90.92 147.28 23.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.568 ' HG3' HG21 ' A' ' 54' ' ' THR . 0.0 OUTLIER -105.28 114.87 29.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.936 ' CD1' HG23 ' A' ' 51' ' ' ILE . 0.1 OUTLIER -92.88 135.64 33.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.7 m -139.9 157.18 46.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.993 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -114.94 125.41 53.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.26 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -113.03 -39.0 4.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.262 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.22 165.17 20.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.02 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.2 p -66.32 118.48 9.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.03 11.71 84.88 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.473 1.108 . . . . 0.0 111.061 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.669 ' HB3' HD11 ' A' ' 79' ' ' LEU . 21.3 mt-10 -119.42 139.79 51.45 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 0.762 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.7 m -136.76 150.89 27.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.543 ' CE2' HD22 ' A' ' 79' ' ' LEU . 2.9 m-85 -117.92 131.67 56.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 110.953 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.936 HG23 ' CD1' ' A' ' 41' ' ' LEU . 2.6 mt -115.66 108.22 24.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.563 ' HE3' ' CE1' ' A' ' 59' ' ' TYR . 31.0 tttt -127.04 145.89 50.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.844 ' HA ' HD23 ' A' ' 39' ' ' LEU . 0.4 OUTLIER -79.06 136.51 37.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 110.016 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.568 HG21 ' HG3' ' A' ' 40' ' ' GLN . 66.5 p -92.75 2.92 56.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 110.433 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.1 tp10 -104.37 -73.92 0.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 32.2 p -64.27 -57.45 9.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.422 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 115.25 27.51 3.12 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -109.03 158.75 17.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 0.766 . . . . 0.0 110.308 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.563 ' CE1' ' HE3' ' A' ' 52' ' ' LYS . 25.0 m-85 -103.98 146.97 27.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.971 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.555 HD23 HD12 ' A' ' 51' ' ' ILE . 6.8 tp -81.5 116.28 21.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.415 ' HB2' ' SG ' ' A' ' 78' ' ' CYS . . . -138.2 153.96 49.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 40.5 ttm -111.83 116.63 30.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.45 -161.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 54.6 p -85.21 -31.2 23.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 110.401 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -57.55 -18.33 18.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.48 -4.96 67.14 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.509 1.131 . . . . 0.0 110.961 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.26 162.69 16.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 0.731 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.681 HD11 HG13 ' A' ' 104' ' ' VAL . 5.5 mt -99.27 144.74 28.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.552 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 2.9 p90 -152.01 151.9 31.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -78.73 121.79 5.7 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.533 1.146 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.433 ' OG ' ' HB2' ' A' ' 59' ' ' TYR . 2.1 p -86.14 136.99 32.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 0.736 . . . . 0.0 110.042 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -68.14 -33.28 74.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.422 ' O ' ' OG ' ' A' ' 71' ' ' SER . 18.4 p -126.74 157.11 72.37 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.427 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 110.09 3.05 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.438 1.757 . . . . 0.0 111.008 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -125.65 157.55 36.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -46.36 -34.44 4.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 110.294 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -57.0 -27.39 61.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 110.262 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.415 ' SG ' ' HB2' ' A' ' 61' ' ' ALA . 37.1 m -80.39 -19.28 46.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 108.3 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.669 HD11 ' HB3' ' A' ' 48' ' ' GLU . 2.7 tp -86.58 119.93 27.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.411 ' HA ' ' O ' ' A' ' 93' ' ' ILE . 6.3 m-85 -115.72 164.45 14.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.578 HD21 ' HA ' ' A' ' 95' ' ' LYS . 0.3 OUTLIER -104.12 125.55 50.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -109.24 148.85 30.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.279 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.08 165.87 31.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.278 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -94.25 108.73 20.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.497 ' HG3' ' CG2' ' A' ' 91' ' ' THR . 2.5 mt-10 -99.43 155.7 17.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.168 . . . . 0.0 110.327 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -54.19 -173.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 110.295 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.2 m-20 55.45 20.23 3.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 2.6 t60 51.88 62.15 2.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.609 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.565 ' CD1' HD13 ' A' ' 128' ' ' LEU . 2.0 m-85 -142.44 163.95 31.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -115.3 161.99 17.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.497 ' CG2' ' HG3' ' A' ' 85' ' ' GLU . 1.4 p -131.46 165.82 22.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.422 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.429 ' CD1' ' O ' ' A' ' 91' ' ' THR . 39.5 m-85 -148.02 132.74 17.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.173 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.685 HD11 ' CE2' ' A' ' 103' ' ' PHE . 28.2 mt -134.87 147.0 29.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.54 138.41 44.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.033 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.578 ' HA ' HD21 ' A' ' 81' ' ' LEU . 12.5 tttp -62.9 -71.63 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.535 ' HB3' ' CD2' ' A' ' 97' ' ' HIS . 4.1 tttt -47.91 -30.0 3.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.545 ' CD2' ' N ' ' A' ' 97' ' ' HIS . 0.3 OUTLIER -118.91 58.33 0.85 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.596 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -98.55 -53.69 3.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.0 -23.46 19.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.539 ' HD3' ' CZ2' ' A' ' 102' ' ' TRP . 3.6 mtpt -76.08 -5.97 48.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 50.73 64.33 1.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.246 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.539 ' CZ2' ' HD3' ' A' ' 100' ' ' LYS . 47.5 m0 -112.54 131.53 55.55 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.685 ' CE2' HD11 ' A' ' 93' ' ' ILE . 80.6 m-85 -114.45 146.85 40.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 111.012 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.681 HG13 HD11 ' A' ' 68' ' ' LEU . 70.0 t -60.77 -94.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.571 ' HA2' ' CE1' ' A' ' 127' ' ' PHE . . . 54.56 167.22 0.03 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.524 1.14 . . . . 0.0 110.951 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.943 HD23 ' HA ' ' A' ' 112' ' ' CYS . 3.2 mt -137.38 133.67 35.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 0.767 . . . . 0.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 111' ' ' SER . 9.7 mtmt -51.49 -177.62 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.326 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.37 -6.37 58.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -91.77 16.08 11.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 65.36 30.69 78.26 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 107' ' ' LYS . 14.7 m -124.28 167.24 14.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 0.781 . . . . 0.0 110.05 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' CYS . . . . . 0.943 ' HA ' HD23 ' A' ' 106' ' ' LEU . 20.9 p -72.78 135.23 45.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 108.298 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.35 126.8 35.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.462 ' CB ' ' HG3' ' A' ' 117' ' ' ARG . 0.1 OUTLIER -38.34 144.46 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.456 ' C ' ' H ' ' A' ' 117' ' ' ARG . . . -64.89 -58.54 9.65 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.469 1.105 . . . . 0.0 110.997 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.415 ' HB3' ' NE1' ' A' ' 102' ' ' TRP . 18.2 Cg_endo -75.01 40.79 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.502 1.79 . . . . 0.0 110.967 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.462 ' HG3' ' CB ' ' A' ' 114' ' ' ARG . 7.2 mmt180 -143.61 19.1 1.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.317 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.7 p -114.9 163.07 16.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.361 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -167.49 176.35 6.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.669 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -81.95 124.23 29.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 111.06 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 122.76 -7.25 9.52 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.499 1.124 . . . . 0.0 111.068 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -91.72 149.4 21.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 0.0 110.309 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.555 ' HD3' HD12 ' A' ' 126' ' ' LEU . 0.1 OUTLIER -86.47 10.09 16.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -90.83 -44.85 9.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.426 ' O ' HG22 ' A' ' 91' ' ' THR . 1.2 pt -62.0 -35.86 70.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.555 HD12 ' HD3' ' A' ' 123' ' ' LYS . 16.2 mt -69.57 112.16 5.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.571 ' CE1' ' HA2' ' A' ' 105' ' ' GLY . 0.5 OUTLIER -124.45 144.76 49.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.999 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.565 HD13 ' CD1' ' A' ' 89' ' ' TYR . 4.9 tp -129.58 117.18 18.53 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' PRO . . . . . 0.467 ' HA ' ' O ' ' A' ' 8' ' ' LEU . 18.1 Cg_endo -75.05 107.97 2.61 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.506 1.793 . . . . 0.0 110.979 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.428 ' HA ' ' HD3' ' A' ' 131' ' ' PRO . 81.4 mt -88.21 133.19 37.4 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 130' ' ' LEU . 18.4 Cg_endo -74.99 134.01 17.31 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.507 1.793 . . . . 0.0 111.001 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 4.3 p . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.257 -179.954 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.854 0 N-CA-C 110.975 -0.433 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.413 ' CD ' ' HB2' ' A' ' 129' ' ' PRO . 0.1 OUTLIER -144.71 160.77 40.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.36 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.521 HD11 ' HB ' ' A' ' 132' ' ' VAL . 4.1 mt -121.94 141.46 51.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.2 mt -93.68 112.24 24.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.351 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.449 ' CB ' ' O ' ' A' ' 128' ' ' LEU . 36.5 t80 -86.58 148.26 25.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 110.995 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 15' ' ' GLY . 52.4 t -133.1 77.63 1.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 108.3 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 13' ' ' ASN . 10.9 t -38.18 -37.48 0.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.995 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.48 ' ND2' ' HB2' ' A' ' 124' ' ' ALA . 7.4 t30 -38.33 -43.41 0.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -131.98 -41.74 0.19 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.481 1.113 . . . . 0.0 110.995 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 11' ' ' CYS . . . 101.5 55.47 0.9 Allowed Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.571 ' CD2' ' HG2' ' A' ' 30' ' ' ARG . 12.4 m80 -130.56 167.21 19.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 0.0 109.618 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -111.82 141.85 44.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 111.008 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.742 ' CD1' HD21 ' A' ' 106' ' ' LEU . 13.5 tp -79.1 120.47 23.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.911 ' HB3' HG22 ' A' ' 37' ' ' ILE . 4.5 ptm180 -121.53 155.21 35.49 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.156 . . . . 0.0 110.308 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.756 HD11 ' HB2' ' A' ' 60' ' ' LEU . 25.3 mt -123.89 128.07 74.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.487 HD12 ' HB ' ' A' ' 25' ' ' THR . 18.6 mt -97.28 157.5 34.79 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.428 ' HB3' HG21 ' A' ' 56' ' ' THR . 18.3 Cg_endo -74.97 0.76 8.5 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.54 1.811 . . . . 0.0 110.969 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -100.96 10.12 41.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.58 45.55 44.96 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.429 1.081 . . . . 0.0 110.962 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.487 ' HB ' HD12 ' A' ' 21' ' ' LEU . 2.7 m -126.61 147.62 49.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 0.765 . . . . 0.0 110.426 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.7 t -135.25 121.45 32.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -145.37 162.42 37.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -88.89 145.7 18.81 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.484 1.115 . . . . 0.0 110.974 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.571 ' CG2' HG21 ' A' ' 37' ' ' ILE . 3.8 t -148.27 142.65 26.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 0.741 . . . . 0.0 110.378 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.571 ' HG2' ' CD2' ' A' ' 16' ' ' HIS . 3.9 ptt180 -115.82 44.53 1.89 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -134.3 90.28 2.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.7 -38.43 1.43 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.321 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.43 -33.54 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.988 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.706 ' OD2' HG23 ' A' ' 37' ' ' ILE . 44.9 t0 -43.64 133.01 4.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -106.56 56.01 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 110.314 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.709 ' NE2' HG23 ' A' ' 56' ' ' THR . 1.7 t-80 -164.49 -43.5 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.595 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.911 HG22 ' HB3' ' A' ' 19' ' ' ARG . 50.0 pt -41.53 -28.92 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.435 ' N ' ' C ' ' A' ' 36' ' ' HIS . 58.8 mt-30 -62.07 92.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 110.294 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 53' ' ' SER . 72.1 mt -104.61 147.19 27.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.462 ' HB2' ' CG2' ' A' ' 54' ' ' THR . 0.0 OUTLIER -105.53 116.86 32.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 110.243 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.77 136.05 33.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 50' ' ' TYR . 3.6 m -133.82 161.01 35.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 110.008 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -119.13 126.23 51.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 109.337 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.446 ' HG2' ' OG ' ' A' ' 45' ' ' SER . 0.6 OUTLIER -108.38 -45.8 3.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.278 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.446 ' OG ' ' HG2' ' A' ' 44' ' ' GLU . 0.9 OUTLIER -127.64 166.33 18.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.008 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.3 p -60.85 122.91 12.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.8 7.86 76.07 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.521 1.138 . . . . 0.0 111.032 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.743 ' HB3' HD11 ' A' ' 79' ' ' LEU . 14.7 mt-10 -114.82 134.62 54.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 0.774 . . . . 0.0 110.317 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.596 ' O ' HD12 ' A' ' 79' ' ' LEU . 24.9 m -132.11 159.45 43.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.418 ' N ' ' O ' ' A' ' 42' ' ' SER . 1.8 m-85 -127.51 131.79 50.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.962 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.7 mt -115.54 113.54 43.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.452 ' HD3' ' CE1' ' A' ' 59' ' ' TYR . 16.6 ttpt -130.72 151.1 51.53 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.451 ' HA ' HD23 ' A' ' 39' ' ' LEU . 0.6 OUTLIER -82.49 136.24 34.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.019 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.462 ' CG2' ' HB2' ' A' ' 40' ' ' GLN . 45.8 p -97.31 8.42 44.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.406 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.436 ' HB3' ' CE1' ' A' ' 36' ' ' HIS . 23.8 tp10 -101.4 -69.19 0.79 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.133 . . . . 0.0 110.338 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.709 HG23 ' NE2' ' A' ' 36' ' ' HIS . 80.4 p -84.29 -50.15 8.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.369 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 114.5 43.28 0.77 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.449 1.093 . . . . 0.0 110.979 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -116.74 137.76 51.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 0.788 . . . . 0.0 110.268 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.452 ' CE1' ' HD3' ' A' ' 52' ' ' LYS . 97.6 m-85 -84.67 142.3 29.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 111.01 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.756 ' HB2' HD11 ' A' ' 20' ' ' ILE . 1.3 tp -82.73 117.64 22.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.416 ' HB2' ' SG ' ' A' ' 78' ' ' CYS . . . -139.11 152.55 47.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 45.3 ttm -107.98 116.13 31.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 111.029 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.571 ' CG ' ' CE2' ' A' ' 69' ' ' TYR . 1.7 m-20 -69.39 -172.64 0.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 67.4 p -76.84 -20.45 56.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.377 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.429 ' CB ' HD22 ' A' ' 67' ' ' LEU . 61.7 m-20 -67.72 -12.22 60.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.95 -10.11 75.02 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.429 HD22 ' CB ' ' A' ' 65' ' ' ASP . 0.4 OUTLIER -87.19 168.38 13.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 0.777 . . . . 0.0 109.322 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.63 HD11 HG13 ' A' ' 104' ' ' VAL . 2.0 mt -103.22 144.71 30.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.571 ' CE2' ' CG ' ' A' ' 63' ' ' ASP . 4.2 p90 -145.03 156.04 43.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 111.045 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -78.73 111.73 3.31 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.511 1.132 . . . . 0.0 110.978 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.02 117.98 25.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 0.756 . . . . 0.0 109.967 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -54.53 -57.71 10.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.9 p -100.96 157.02 34.45 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.363 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 116.56 4.62 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.462 1.769 . . . . 0.0 110.983 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 -126.78 157.42 39.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -47.77 -28.76 2.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.295 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.47 ' O ' ' CE1' ' A' ' 80' ' ' PHE . 39.8 mt-10 -63.89 -31.37 72.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.339 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.416 ' SG ' ' HB2' ' A' ' 61' ' ' ALA . 57.5 m -73.93 -16.97 61.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 108.321 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.743 HD11 ' HB3' ' A' ' 48' ' ' GLU . 6.7 tp -89.17 124.2 34.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.345 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.535 ' C ' HD13 ' A' ' 81' ' ' LEU . 17.0 m-85 -124.11 165.4 17.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 110.992 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.535 HD13 ' C ' ' A' ' 80' ' ' PHE . 0.4 OUTLIER -103.6 125.74 50.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.82 147.57 31.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.54 165.02 34.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.732 HD13 ' O ' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -92.69 115.11 27.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.628 ' HG3' HG23 ' A' ' 91' ' ' THR . 1.2 mt-10 -104.67 145.21 30.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -52.0 -179.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 62.6 m-20 60.74 15.5 5.9 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.536 1.147 . . . . 0.0 109.271 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER 60.66 60.24 1.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.591 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.736 ' CE1' HD12 ' A' ' 128' ' ' LEU . 14.2 m-85 -141.87 158.29 43.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -122.95 153.03 40.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.333 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.628 HG23 ' HG3' ' A' ' 85' ' ' GLU . 21.0 p -125.86 155.32 41.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.425 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -134.87 132.67 38.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.602 HD11 ' CE2' ' A' ' 103' ' ' PHE . 50.0 mt -130.02 138.12 54.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.2 t -67.75 138.21 56.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.437 1.086 . . . . 0.0 110.025 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.43 ' C ' ' N ' ' A' ' 97' ' ' HIS . 11.5 tttm -63.86 -74.71 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.9 mttt -40.9 -29.64 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.43 ' N ' ' C ' ' A' ' 95' ' ' LYS . 0.1 OUTLIER -122.71 57.74 1.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.62 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -91.52 -43.22 9.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -67.62 -16.56 64.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.328 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.565 ' HD2' ' CZ2' ' A' ' 102' ' ' TRP . 13.1 mttt -78.09 -7.15 56.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 49.31 64.23 1.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.163 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.565 ' CZ2' ' HD2' ' A' ' 100' ' ' LYS . 49.0 m0 -112.55 131.69 55.48 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.602 ' CE2' HD11 ' A' ' 93' ' ' ILE . 86.9 m-85 -116.71 148.16 41.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 110.984 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.63 HG13 HD11 ' A' ' 68' ' ' LEU . 19.8 t -87.03 108.37 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.567 ' HA2' ' CE1' ' A' ' 127' ' ' PHE . . . -146.2 152.1 24.25 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.503 1.127 . . . . 0.0 110.958 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.8 HD23 ' HA ' ' A' ' 112' ' ' CYS . 10.3 mt -118.29 159.6 23.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 0.761 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.99 -177.43 4.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -67.75 -25.46 65.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 17.8 t30 -84.73 9.51 13.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 109.274 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 63.02 41.18 99.93 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.475 1.11 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.442 ' O ' ' HA ' ' A' ' 106' ' ' LEU . 0.7 OUTLIER -115.96 143.8 44.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.433 0.725 . . . . 0.0 109.97 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 112' ' ' CYS . . . . . 0.8 ' HA ' HD23 ' A' ' 106' ' ' LEU . 6.9 p -65.91 134.47 53.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 108.277 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 114' ' ' ARG . 1.4 ttmm -90.89 129.78 36.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.466 ' CB ' ' HG3' ' A' ' 117' ' ' ARG . 0.0 OUTLIER -38.27 124.91 1.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.306 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.58 ' N ' ' CD ' ' A' ' 116' ' ' PRO . . . -54.4 -46.34 72.91 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.482 1.114 . . . . 0.0 110.964 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.58 ' CD ' ' N ' ' A' ' 115' ' ' GLY . 18.1 Cg_endo -75.02 5.44 3.99 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.528 1.804 . . . . 0.0 110.988 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.466 ' HG3' ' CB ' ' A' ' 114' ' ' ARG . 3.4 mmm180 -116.04 39.8 2.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.274 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 19.3 p -125.48 166.54 16.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 110.422 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.691 ' O ' HD13 ' A' ' 125' ' ' ILE . 0.2 OUTLIER -175.06 177.12 2.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.613 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -86.21 136.15 33.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 0.0 110.962 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 111.44 -11.04 28.41 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -86.48 154.83 20.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.779 . . . . 0.0 110.305 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 5.4 tppt? -93.81 14.1 20.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.48 ' HB2' ' ND2' ' A' ' 13' ' ' ASN . . . -95.73 -52.05 4.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.691 HD13 ' O ' ' A' ' 119' ' ' HIS . 2.7 pt -59.54 -33.72 52.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.342 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 96.3 mt -64.45 100.9 0.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.567 ' CE1' ' HA2' ' A' ' 105' ' ' GLY . 1.1 m-30 -112.72 132.99 54.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.976 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.77 HD23 ' HD2' ' A' ' 129' ' ' PRO . 0.8 OUTLIER -114.1 118.91 41.61 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 129' ' ' PRO . . . . . 0.77 ' HD2' HD23 ' A' ' 128' ' ' LEU . 18.2 Cg_endo -75.05 114.18 3.96 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.512 1.796 . . . . 0.0 110.991 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 131' ' ' PRO . 80.5 mt -102.67 131.67 22.1 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.334 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 130' ' ' LEU . 18.5 Cg_endo -74.95 148.21 35.21 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.507 1.793 . . . . 0.0 111.033 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.521 ' HB ' HD11 ' A' ' 8' ' ' LEU . 9.8 p . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 109.331 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.823 ' O ' HG12 ' A' ' 132' ' ' VAL . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.855 0 N-CA-C 110.996 -0.425 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.5 ' CG ' ' O ' ' A' ' 130' ' ' LEU . 0.0 OUTLIER -144.7 168.18 20.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.556 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -106.65 147.96 28.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 73.6 mt -92.94 104.33 16.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -86.19 109.01 18.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 15' ' ' GLY . 43.1 t -87.6 79.95 8.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 0.0 108.307 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 11' ' ' CYS . 3.5 p -36.55 -34.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.002 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 11' ' ' CYS . 28.7 t30 -42.61 -53.01 4.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -120.92 -35.93 0.8 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.47 1.106 . . . . 0.0 111.014 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 11' ' ' CYS . . . 95.49 78.52 1.42 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.452 ' ND1' ' C ' ' A' ' 15' ' ' GLY . 52.4 m80 -155.81 168.79 26.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.75 . . . . 0.0 109.609 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.556 ' CD1' ' HB3' ' A' ' 8' ' ' LEU . 18.0 m-85 -111.43 143.79 41.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.759 HD12 HD21 ' A' ' 106' ' ' LEU . 10.5 tp -76.83 116.07 17.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.788 ' HB2' HG22 ' A' ' 37' ' ' ILE . 25.3 ttp180 -109.3 144.21 37.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.329 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.488 HG22 ' NE2' ' A' ' 58' ' ' GLN . 11.5 mt -124.81 104.38 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.505 HD12 ' HB ' ' A' ' 25' ' ' THR . 18.6 mt -76.92 157.03 82.14 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -1.78 11.68 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.505 1.792 . . . . 0.0 111.0 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.93 7.8 44.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.94 37.7 37.83 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.542 1.152 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.505 ' HB ' HD12 ' A' ' 21' ' ' LEU . 3.5 m -117.01 146.36 43.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 0.789 . . . . 0.0 110.359 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 19' ' ' ARG . 2.7 t -135.13 115.21 18.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -148.25 160.82 42.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -78.07 151.07 36.47 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.529 1.143 . . . . 0.0 111.004 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.696 ' CG2' HG21 ' A' ' 37' ' ' ILE . 7.0 t -156.94 116.04 3.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 0.77 . . . . 0.0 110.409 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.9 ttt-85 -92.81 50.12 1.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -132.55 92.85 3.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.22 -22.53 6.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.133 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.18 -30.82 62.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.005 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.452 ' OD2' ' NH1' ' A' ' 19' ' ' ARG . 0.4 OUTLIER -65.85 128.44 36.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -98.12 9.67 42.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.427 1.08 . . . . 0.0 110.321 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.621 ' CE1' ' HG2' ' A' ' 55' ' ' GLU . 13.6 m-70 -96.66 -29.81 13.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.573 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.788 HG22 ' HB2' ' A' ' 19' ' ' ARG . 17.6 pt -64.8 -21.49 29.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.423 ' HG2' HG11 ' A' ' 132' ' ' VAL . 11.4 mt-30 -60.66 81.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.596 HD13 HG22 ' A' ' 51' ' ' ILE . 17.2 mt -86.87 146.99 25.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.345 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.471 ' HB2' ' CG2' ' A' ' 54' ' ' THR . 0.0 OUTLIER -105.63 115.88 30.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 110.342 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.44 136.45 33.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.9 m -136.25 155.85 49.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.979 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -119.91 128.71 53.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.447 ' CD ' ' N ' ' A' ' 44' ' ' GLU . 3.2 mm-40 -109.05 -54.34 2.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 110.319 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -129.3 165.8 20.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 110.01 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 77.2 t -61.98 115.13 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.412 ' O ' ' HA ' ' A' ' 81' ' ' LEU . . . 88.47 16.22 59.05 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.547 1.154 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.482 ' OE1' HD21 ' A' ' 79' ' ' LEU . 15.8 mt-10 -128.56 136.86 51.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 0.738 . . . . 0.0 110.284 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.558 ' O ' HD12 ' A' ' 79' ' ' LEU . 10.3 m -145.01 150.92 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.576 ' CE1' ' HB2' ' A' ' 79' ' ' LEU . 1.6 m-85 -117.3 144.49 44.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.596 HG22 HD13 ' A' ' 39' ' ' LEU . 6.5 mt -126.2 107.93 18.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.55 ' HG3' ' CD1' ' A' ' 59' ' ' TYR . 17.6 tttt -129.33 146.72 51.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.47 ' HA ' HD23 ' A' ' 39' ' ' LEU . 0.4 OUTLIER -80.77 137.39 36.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.026 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.471 ' CG2' ' HB2' ' A' ' 40' ' ' GLN . 63.8 p -90.82 -10.89 41.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.419 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.621 ' HG2' ' CE1' ' A' ' 36' ' ' HIS . 3.3 tp10 -86.3 -76.28 0.35 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.088 . . . . 0.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 28.7 p -68.33 -53.28 25.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.43 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 108.82 45.3 1.05 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.49 1.119 . . . . 0.0 110.979 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.488 ' NE2' HG22 ' A' ' 20' ' ' ILE . 5.3 mt-30 -119.76 153.94 34.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 0.791 . . . . 0.0 110.289 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.55 ' CD1' ' HG3' ' A' ' 52' ' ' LYS . 58.9 m-85 -99.05 135.97 39.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 111.007 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.0 tp -76.96 119.97 21.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.587 ' HB2' ' SG ' ' A' ' 78' ' ' CYS . . . -140.31 151.36 44.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 31.6 ttm -106.38 116.14 31.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.06 -165.57 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 12.6 p -86.01 -7.52 58.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.418 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.461 ' HB3' ' CD1' ' A' ' 67' ' ' LEU . 0.8 OUTLIER -84.62 -6.02 59.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.284 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.442 ' HA3' ' CD ' ' A' ' 116' ' ' PRO . . . 82.29 1.78 90.47 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' A' ' 65' ' ' ASP . 4.4 mp -91.39 168.02 11.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 0.756 . . . . 0.0 109.347 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.905 HD11 HG13 ' A' ' 104' ' ' VAL . 9.4 mt -106.96 132.45 52.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.565 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 2.2 p90 -142.85 150.98 40.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 111.033 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -82.69 124.9 6.7 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.506 1.129 . . . . 0.0 110.96 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.6 t -91.24 140.16 30.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 0.777 . . . . 0.0 109.958 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -63.2 -38.2 90.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.262 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.3 p -122.87 160.48 49.0 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.415 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 114.71 4.09 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.497 1.788 . . . . 0.0 111.024 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -125.66 157.36 37.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.432 1.083 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -49.39 -32.45 11.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.414 ' CG ' ' HD2' ' A' ' 96' ' ' LYS . 41.5 mt-10 -62.97 -22.02 66.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.587 ' SG ' ' HB2' ' A' ' 61' ' ' ALA . 66.6 m -83.23 -22.57 33.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.418 1.074 . . . . 0.0 108.288 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.576 ' HB2' ' CE1' ' A' ' 50' ' ' TYR . 49.1 tp -85.79 127.01 34.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.445 ' C ' HD13 ' A' ' 81' ' ' LEU . 5.8 m-85 -120.68 166.1 14.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.732 HD21 ' HA ' ' A' ' 95' ' ' LYS . 0.5 OUTLIER -102.74 122.91 45.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.433 ' HG2' ' N ' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -109.0 146.48 33.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 110.308 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.433 ' N ' ' HG2' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -151.74 149.79 29.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.258 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -92.06 107.34 19.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.925 ' OE2' HD22 ' A' ' 126' ' ' LEU . 2.6 pp20? -109.16 159.72 16.67 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' A' ' 85' ' ' GLU . 21.0 mt-10 -50.56 -178.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.288 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 73.81 3.4 4.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.256 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 5.3 t60 58.57 52.47 6.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.599 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.518 ' CE1' HD22 ' A' ' 128' ' ' LEU . 3.6 m-85 -144.74 161.26 39.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.99 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -115.93 153.76 31.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.536 HG22 ' O ' ' A' ' 125' ' ' ILE . 0.9 OUTLIER -125.27 158.94 32.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.429 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -139.57 132.84 29.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.969 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.653 HD11 ' CE1' ' A' ' 103' ' ' PHE . 39.3 mt -135.8 138.28 47.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.3 t -59.08 143.34 48.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.037 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.732 ' HA ' HD21 ' A' ' 81' ' ' LEU . 1.4 tttm -78.89 -56.16 4.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.414 ' HD2' ' CG ' ' A' ' 77' ' ' GLU . 0.9 OUTLIER -43.54 -27.43 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.668 ' CE1' ' CZ3' ' A' ' 102' ' ' TRP . 30.8 m-70 -103.58 -93.13 0.34 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.587 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 97' ' ' HIS . . . 69.17 -62.68 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 97' ' ' HIS . 7.7 mt-10 -62.85 -13.15 30.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.334 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.551 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 8.5 mttm -90.23 -3.05 58.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 43.86 64.95 1.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.668 ' CZ3' ' CE1' ' A' ' 97' ' ' HIS . 45.3 m0 -111.9 131.63 55.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 108.042 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.653 ' CE1' HD11 ' A' ' 93' ' ' ILE . 94.9 m-85 -114.08 148.88 36.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 0.0 111.014 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.905 HG13 HD11 ' A' ' 68' ' ' LEU . 77.6 t -72.45 -91.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.446 ' N ' HG12 ' A' ' 104' ' ' VAL . . . 50.02 175.28 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.447 1.092 . . . . 0.0 111.007 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.987 HD23 ' HA ' ' A' ' 112' ' ' CYS . 6.4 mt -138.32 131.61 30.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.772 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 111' ' ' SER . 2.3 mtmp? -52.93 -174.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.66 -9.23 52.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -88.99 15.05 9.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 67.36 25.69 73.63 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.472 ' O ' ' N ' ' A' ' 107' ' ' LYS . 0.6 OUTLIER -119.46 166.81 12.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 0.0 110.021 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 112' ' ' CYS . . . . . 0.987 ' HA ' HD23 ' A' ' 106' ' ' LEU . 19.5 p -74.2 135.35 42.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 108.308 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.755 ' HD3' HG22 ' A' ' 118' ' ' THR . 1.6 ttmp? -90.25 117.16 28.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 113' ' ' LYS . 2.2 mpp_? -36.77 149.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.312 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.524 ' N ' ' CD ' ' A' ' 116' ' ' PRO . . . -70.13 -49.71 32.14 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.496 1.123 . . . . 0.0 110.946 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 115' ' ' GLY . 18.1 Cg_endo -75.05 4.32 4.87 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.57 1.826 . . . . 0.0 110.948 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 4.1 mmt-85 -112.78 23.48 13.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.313 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.755 HG22 ' HD3' ' A' ' 113' ' ' LYS . 1.7 p -131.07 152.78 50.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.404 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -151.91 -169.84 3.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.649 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -91.13 123.07 34.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 127.51 -6.92 7.06 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.522 1.139 . . . . 0.0 111.024 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -91.1 157.62 17.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 0.74 . . . . 0.0 110.341 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.409 ' HG2' ' N ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -95.95 13.54 26.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -91.4 -55.62 3.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.584 HG22 ' CB ' ' A' ' 103' ' ' PHE . 3.6 pt -48.81 -31.37 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.925 HD22 ' OE2' ' A' ' 85' ' ' GLU . 14.1 mt -73.04 131.02 41.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -138.93 150.71 46.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.518 HD22 ' CE1' ' A' ' 89' ' ' TYR . 5.9 tp -133.71 115.25 13.38 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' PRO . . . . . 0.44 ' HA ' ' O ' ' A' ' 8' ' ' LEU . 18.3 Cg_endo -74.98 124.56 8.73 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.438 1.757 . . . . 0.0 111.003 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.5 ' O ' ' CG ' ' A' ' 7' ' ' LYS . 4.0 mm? -99.12 142.51 24.74 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 116.65 4.64 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.476 1.777 . . . . 0.0 110.965 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.823 HG12 ' O ' ' A' ' 6' ' ' PRO . 2.5 p . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.46 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.912 0 N-CA-C 111.032 -0.411 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.426 ' C ' HD13 ' A' ' 8' ' ' LEU . 0.5 OUTLIER -144.97 158.43 43.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.29 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.656 HD21 ' HB ' ' A' ' 132' ' ' VAL . 0.2 OUTLIER -103.17 143.85 32.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.558 ' HB3' ' CD2' ' A' ' 127' ' ' PHE . 2.1 mp -91.5 104.44 16.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.474 ' HB2' ' CD2' ' A' ' 130' ' ' LEU . 20.8 t80 -74.62 151.73 39.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.975 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 12' ' ' SER . 39.3 t -135.51 70.13 1.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 108.31 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.46 ' C ' ' O ' ' A' ' 11' ' ' CYS . 17.2 t -34.81 -36.5 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.985 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.497 ' O ' ' CG ' ' A' ' 108' ' ' LYS . 29.4 t30 -41.8 -48.24 4.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.135 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 11' ' ' CYS . . . -125.77 -38.3 0.48 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.515 1.134 . . . . 0.0 111.017 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.549 ' O ' ' CG ' ' A' ' 16' ' ' HIS . . . 97.04 79.14 1.45 Allowed Glycine 0 CA--C 1.529 0.931 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.549 ' CG ' ' O ' ' A' ' 15' ' ' GLY . 66.2 m80 -162.7 153.64 17.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 0.749 . . . . 0.0 109.628 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.504 ' CG ' ' HB3' ' A' ' 8' ' ' LEU . 23.2 m-30 -101.15 142.54 32.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.147 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.891 ' CD1' HD21 ' A' ' 106' ' ' LEU . 12.3 tp -78.71 114.79 17.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.696 ' HB3' HG22 ' A' ' 37' ' ' ILE . 1.7 ptp180 -112.83 154.26 26.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.324 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.59 HD11 ' HB2' ' A' ' 60' ' ' LEU . 47.2 mt -124.43 117.04 49.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.488 HD21 ' HD2' ' A' ' 19' ' ' ARG . 22.4 mt -89.48 157.42 47.17 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 0.26 9.13 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.538 1.809 . . . . 0.0 111.008 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.37 11.46 39.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 70.27 47.45 44.11 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.452 1.095 . . . . 0.0 110.972 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.469 ' CG2' HD12 ' A' ' 21' ' ' LEU . 1.2 m -125.78 142.54 51.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 0.0 110.4 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.4 t -135.38 115.92 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.66 162.15 40.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -80.22 150.32 31.82 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.548 1.155 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.478 ' CG2' HG21 ' A' ' 37' ' ' ILE . 2.6 t -160.8 136.12 7.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 0.784 . . . . 0.0 110.343 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.15 41.14 3.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 110.269 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 33' ' ' SER . 24.6 t0 -93.44 -6.26 47.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.35 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 31' ' ' ASP . 13.0 mtm180 36.8 32.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 31' ' ' ASP . 0.3 OUTLIER -129.24 -44.12 1.28 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.961 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.24 123.64 3.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -82.79 53.38 2.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 110.287 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.439 ' C ' ' N ' ' A' ' 38' ' ' GLN . 38.3 m80 -145.65 -46.9 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.618 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.696 HG22 ' HB3' ' A' ' 19' ' ' ARG . 33.3 pt -41.63 -28.56 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.338 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.439 ' N ' ' C ' ' A' ' 36' ' ' HIS . 82.4 mt-30 -59.1 82.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.285 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.46 ' O ' ' HA ' ' A' ' 6' ' ' PRO . 18.2 mt -95.39 146.33 24.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -106.85 114.65 28.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 110.258 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -88.45 136.06 33.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.71 161.07 36.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.984 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -123.42 126.16 46.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.567 1.167 . . . . 0.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.433 ' HG2' ' OG ' ' A' ' 45' ' ' SER . 0.4 OUTLIER -110.38 -42.98 3.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 0.0 110.287 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.433 ' OG ' ' HG2' ' A' ' 44' ' ' GLU . 0.9 OUTLIER -128.54 165.9 19.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.057 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 11.0 p -66.14 119.14 10.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.63 2.15 89.98 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.459 1.1 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.621 ' HB3' HD11 ' A' ' 79' ' ' LEU . 32.9 mt-10 -114.29 138.42 50.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 0.758 . . . . 0.0 110.314 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.453 ' O ' HD12 ' A' ' 79' ' ' LEU . 34.0 m -134.81 155.65 38.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.762 ' CE2' HD13 ' A' ' 79' ' ' LEU . 4.8 m-85 -125.8 131.62 52.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.405 HG22 HD13 ' A' ' 39' ' ' LEU . 2.2 mt -114.69 119.56 61.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.402 ' HE3' ' CE1' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -135.57 144.88 46.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.411 ' HA ' HD23 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -80.4 135.23 36.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.009 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.1 p -90.49 -13.69 34.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.398 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -80.36 -69.54 0.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.27 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 56.0 p -79.35 -62.01 1.83 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.398 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 120.3 47.7 0.33 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.423 1.077 . . . . 0.0 111.03 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.422 ' NE2' HG22 ' A' ' 20' ' ' ILE . 5.6 mt-30 -122.93 137.83 54.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 0.783 . . . . 0.0 110.279 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.402 ' CE1' ' HE3' ' A' ' 52' ' ' LYS . 90.8 m-85 -84.5 139.8 31.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.59 ' HB2' HD11 ' A' ' 20' ' ' ILE . 8.8 tp -77.32 118.77 20.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.487 ' HB2' ' SG ' ' A' ' 78' ' ' CYS . . . -140.55 155.49 46.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 40.3 ttm -113.2 116.11 29.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.22 -164.62 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 69.8 p -85.73 -20.5 29.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.409 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.597 ' CB ' HD12 ' A' ' 67' ' ' LEU . 6.1 m-20 -69.9 -8.56 49.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 84.55 -0.95 89.2 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.489 1.118 . . . . 0.0 110.963 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.597 HD12 ' CB ' ' A' ' 65' ' ' ASP . 4.1 mp -87.66 173.51 8.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 0.776 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.444 HD21 HG22 ' A' ' 104' ' ' VAL . 10.0 mt -110.93 137.67 48.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.56 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 2.1 p90 -149.29 163.13 38.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -94.12 123.91 7.67 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.554 1.159 . . . . 0.0 111.025 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 10.4 t -86.21 140.11 30.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 0.774 . . . . 0.0 109.989 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.26 -40.0 80.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.266 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.1 p -126.65 164.5 34.19 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.419 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 103.5 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.557 1.819 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -113.46 157.74 21.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.69 -24.24 2.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.303 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -67.33 -16.08 64.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 110.304 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.487 ' SG ' ' HB2' ' A' ' 61' ' ' ALA . 73.8 m -89.62 -14.27 35.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 108.305 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.762 HD13 ' CE2' ' A' ' 50' ' ' TYR . 3.7 tp -86.7 126.71 34.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.441 ' C ' HD13 ' A' ' 81' ' ' LEU . 12.3 m-85 -126.8 165.55 19.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.424 1.078 . . . . 0.0 111.021 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.47 ' CD1' ' HG2' ' A' ' 48' ' ' GLU . 0.7 OUTLIER -103.4 124.25 48.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.441 ' OE2' ' N ' ' A' ' 83' ' ' ARG . 2.8 tm-20 -108.7 150.27 27.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.293 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.441 ' N ' ' OE2' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -153.95 150.0 27.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.522 HD23 ' O ' ' A' ' 85' ' ' GLU . 5.1 tt -91.9 128.15 37.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.522 ' O ' HD23 ' A' ' 84' ' ' LEU . 36.0 mm-40 -97.79 158.36 15.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -82.27 50.58 1.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 110.285 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -159.95 27.45 0.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 22.5 t-160 52.42 48.61 22.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.549 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.503 ' CG ' ' HB3' ' A' ' 126' ' ' LEU . 2.2 m-85 -144.28 143.15 30.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -111.22 150.77 29.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.248 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.512 HG22 ' O ' ' A' ' 125' ' ' ILE . 34.4 p -127.44 164.64 21.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.405 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -144.82 133.38 22.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 111.015 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.537 HD11 ' CE2' ' A' ' 103' ' ' PHE . 59.9 mt -132.2 133.73 60.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.7 t -59.54 140.03 56.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.008 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.88 -68.48 0.38 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.551 ' HB3' ' CD2' ' A' ' 97' ' ' HIS . 0.0 OUTLIER -47.06 -28.95 1.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.553 ' CD2' ' N ' ' A' ' 97' ' ' HIS . 0.2 OUTLIER -121.99 53.61 1.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.563 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -92.93 -35.86 13.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.54 -10.29 59.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.273 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.506 ' HD2' ' CZ2' ' A' ' 102' ' ' TRP . 30.6 mttt -90.06 -5.34 56.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 51.77 64.68 1.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.506 ' CZ2' ' HD2' ' A' ' 100' ' ' LYS . 46.2 m0 -112.28 131.58 55.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 108.021 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.578 ' CD2' ' HB ' ' A' ' 125' ' ' ILE . 70.0 m-85 -114.13 148.84 36.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.484 ' O ' ' C ' ' A' ' 105' ' ' GLY . 37.9 t -72.59 -20.59 19.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.57 ' HA2' ' CE1' ' A' ' 127' ' ' PHE . . . -30.61 145.61 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.891 HD21 ' CD1' ' A' ' 18' ' ' LEU . 1.2 mt -107.02 160.34 15.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 0.765 . . . . 0.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 111' ' ' SER . 7.8 mmmt -63.96 -157.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.497 ' CG ' ' O ' ' A' ' 13' ' ' ASN . 0.6 OUTLIER -117.74 -6.26 11.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 14.8 m-20 -96.31 13.41 27.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 77.18 40.51 24.24 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.499 1.125 . . . . 0.0 111.03 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 107' ' ' LYS . 0.6 OUTLIER -137.83 162.62 33.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 0.778 . . . . 0.0 109.989 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 112' ' ' CYS . . . . . 0.755 ' HA ' HD23 ' A' ' 106' ' ' LEU . 26.1 p -78.09 135.05 37.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 108.296 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.632 ' HD3' HG22 ' A' ' 118' ' ' THR . 0.4 OUTLIER -90.94 119.03 30.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -38.44 137.93 0.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.33 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.477 ' C ' ' H ' ' A' ' 117' ' ' ARG . . . -52.75 -56.32 18.82 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.495 1.122 . . . . 0.0 111.033 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.416 ' O ' ' HG2' ' A' ' 117' ' ' ARG . 18.1 Cg_endo -75.0 38.13 0.51 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.496 1.787 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.477 ' H ' ' C ' ' A' ' 115' ' ' GLY . 5.1 mtm180 -144.65 18.01 1.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.297 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.632 HG22 ' HD3' ' A' ' 113' ' ' LYS . 3.1 p -117.04 161.35 19.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.371 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.548 ' O ' HD13 ' A' ' 125' ' ' ILE . 2.5 m-70 -166.07 -170.97 1.86 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.617 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -92.49 136.88 32.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 111.023 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 113.46 -5.26 24.8 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -97.81 152.06 19.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 0.772 . . . . 0.0 110.292 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.796 ' HD3' HD12 ' A' ' 126' ' ' LEU . 8.2 tppt? -90.16 5.29 47.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.254 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.4 ' HB2' ' ND2' ' A' ' 13' ' ' ASN . . . -83.86 -44.37 14.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.578 ' HB ' ' CD2' ' A' ' 103' ' ' PHE . 4.0 pt -64.21 -35.99 75.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.796 HD12 ' HD3' ' A' ' 123' ' ' LYS . 73.8 mt -66.19 107.14 1.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.57 ' CE1' ' HA2' ' A' ' 105' ' ' GLY . 1.6 m-30 -118.64 130.54 55.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 111.002 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.825 HD23 ' HD2' ' A' ' 129' ' ' PRO . 0.7 OUTLIER -114.07 118.75 41.9 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 129' ' ' PRO . . . . . 0.825 ' HD2' HD23 ' A' ' 128' ' ' LEU . 18.2 Cg_endo -74.96 120.89 6.27 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.55 1.816 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.501 ' CD2' ' O ' ' A' ' 128' ' ' LEU . 3.8 mm? -101.91 142.77 25.26 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 130' ' ' LEU . 18.2 Cg_endo -75.07 139.52 24.21 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.48 1.779 . . . . 0.0 110.988 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.656 ' HB ' HD21 ' A' ' 8' ' ' LEU . 1.4 p . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.405 ' O ' HG12 ' A' ' 132' ' ' VAL . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.887 0 N-CA-C 111.046 -0.406 . . . . 0.0 111.046 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.36 161.38 39.77 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.468 ' O ' ' HA ' ' A' ' 129' ' ' PRO . 0.7 OUTLIER -120.59 137.06 54.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.696 HD21 HD11 ' A' ' 41' ' ' LEU . 3.5 mm? -91.14 110.32 21.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.478 ' CZ ' ' HA ' ' A' ' 12' ' ' SER . 12.7 t80 -85.14 127.3 34.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.991 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 13' ' ' ASN . 16.8 t -109.43 74.03 0.88 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 108.328 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.478 ' HA ' ' CZ ' ' A' ' 10' ' ' TYR . 45.9 t -38.11 -31.12 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.105 . . . . 0.0 110.021 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 11' ' ' CYS . 54.9 t30 -40.71 -65.87 0.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.142 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -115.1 -18.81 6.15 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.534 1.146 . . . . 0.0 110.982 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 84.66 70.75 1.33 Allowed Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 43.6 m80 -148.61 152.69 37.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 0.753 . . . . 0.0 109.578 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.427 ' HE1' HD12 ' A' ' 130' ' ' LEU . 19.2 m-85 -100.55 141.96 32.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 111.02 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 1.039 HD12 HD21 ' A' ' 106' ' ' LEU . 10.0 tp -78.48 118.23 20.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.887 ' HB3' HG22 ' A' ' 37' ' ' ILE . 3.3 ptm180 -120.43 153.94 35.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.559 HD11 ' HB2' ' A' ' 60' ' ' LEU . 34.6 mt -124.63 112.96 34.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.337 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.55 HD12 ' HB ' ' A' ' 25' ' ' THR . 26.9 mt -78.33 157.65 77.64 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.495 ' HB3' HG22 ' A' ' 56' ' ' THR . 18.3 Cg_endo -75.04 -8.47 20.05 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.531 1.806 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -90.53 8.17 35.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.86 43.04 29.04 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.517 1.136 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.55 ' HB ' HD12 ' A' ' 21' ' ' LEU . 4.8 m -123.0 147.71 46.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 0.771 . . . . 0.0 110.405 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.5 t -131.2 118.32 40.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.11 . . . . 0.0 109.328 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -147.6 160.39 42.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.94 155.41 33.16 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.451 1.094 . . . . 0.0 111.003 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.673 ' CG2' HG21 ' A' ' 37' ' ' ILE . 1.5 t -161.04 143.98 12.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.768 . . . . 0.0 110.374 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 21.0 ptt-85 -125.13 13.06 8.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.302 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.516 ' O ' ' N ' ' A' ' 33' ' ' SER . 2.0 t0 -68.82 -21.45 64.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.461 ' O ' ' N ' ' A' ' 34' ' ' ASP . 5.3 mtm180 66.22 -61.2 0.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.576 1.173 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.516 ' N ' ' O ' ' A' ' 31' ' ' ASP . 0.3 OUTLIER -38.5 -30.13 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.013 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 32' ' ' ARG . 0.2 OUTLIER -43.03 120.02 1.68 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.325 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -92.92 41.18 1.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.241 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.468 ' N ' ' ND1' ' A' ' 36' ' ' HIS . 0.0 OUTLIER -140.04 -46.73 0.44 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.611 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.887 HG22 ' HB3' ' A' ' 19' ' ' ARG . 26.8 pt -39.46 -32.78 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.412 ' N ' ' C ' ' A' ' 36' ' ' HIS . 74.8 mt-30 -54.49 88.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.272 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 37' ' ' ILE . 51.3 mt -98.87 146.98 25.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.569 ' HG3' HG21 ' A' ' 54' ' ' THR . 0.0 OUTLIER -106.15 117.5 34.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.316 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.696 HD11 HD21 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -90.49 136.15 33.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.419 ' O ' ' HA ' ' A' ' 49' ' ' VAL . 4.0 m -135.41 160.69 37.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.928 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -123.63 126.55 46.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -109.97 -46.44 3.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.242 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.58 165.45 18.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.137 . . . . 0.0 110.026 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.9 p -63.64 121.75 13.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.57 6.53 88.96 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.452 1.095 . . . . 0.0 111.026 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.677 ' HB3' HD11 ' A' ' 79' ' ' LEU . 13.6 mt-10 -116.0 142.91 46.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 0.765 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.419 ' HA ' ' O ' ' A' ' 42' ' ' SER . 25.6 m -141.31 155.06 20.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -123.89 134.27 53.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.3 mt -116.39 115.51 49.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.355 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.25 148.16 52.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.4 m -79.78 137.13 36.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.976 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.569 HG21 ' HG3' ' A' ' 40' ' ' GLN . 72.6 p -94.05 -3.31 51.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 110.374 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -103.82 -66.85 0.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.319 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.495 HG22 ' HB3' ' A' ' 22' ' ' PRO . 4.1 p -68.34 -64.53 0.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.397 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 114.66 50.71 0.48 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -134.4 141.0 46.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 0.742 . . . . 0.0 110.337 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -84.58 139.58 32.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 110.978 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.559 ' HB2' HD11 ' A' ' 20' ' ' ILE . 6.9 tp -77.25 118.33 19.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.443 ' HB2' ' SG ' ' A' ' 78' ' ' CYS . . . -139.44 150.44 45.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 34.8 ttm -104.68 119.8 39.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.37 173.43 9.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.14 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 77.3 p -68.24 -19.46 64.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.372 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.529 ' HB3' HD13 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -71.89 -6.73 43.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.424 ' O ' ' HA ' ' A' ' 114' ' ' ARG . . . 83.26 7.42 86.75 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.529 HD13 ' HB3' ' A' ' 65' ' ' ASP . 5.3 mp -99.82 167.21 10.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 0.741 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.764 HD11 HG13 ' A' ' 104' ' ' VAL . 21.6 mt -104.69 142.2 35.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.569 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 1.6 p90 -153.15 150.35 28.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 111.03 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -81.78 123.29 6.0 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.453 1.095 . . . . 0.0 111.003 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.7 t -88.56 140.16 29.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 0.753 . . . . 0.0 109.998 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -63.86 -37.61 88.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 110.283 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.2 p -124.2 160.8 50.76 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.386 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 109.42 2.93 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.487 1.782 . . . . 0.0 111.027 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -120.24 157.12 29.79 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.454 1.096 . . . . 0.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.99 -29.81 3.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.095 . . . . 0.0 110.302 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -60.88 -26.6 67.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.443 ' SG ' ' HB2' ' A' ' 61' ' ' ALA . 39.7 m -81.23 -15.48 55.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 108.238 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.677 HD11 ' HB3' ' A' ' 48' ' ' GLU . 2.9 tp -86.51 118.82 26.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -117.71 165.03 14.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 111.02 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.774 HD22 ' O ' ' A' ' 93' ' ' ILE . 0.4 OUTLIER -103.71 124.99 49.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.08 142.52 39.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -146.77 166.41 26.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -92.73 110.75 22.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.779 ' CD ' HG21 ' A' ' 91' ' ' THR . 15.1 mt-10 -107.45 144.12 34.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.276 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.507 ' O ' ' CB ' ' A' ' 87' ' ' ASN . 30.9 mt-10 -47.01 172.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.269 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.507 ' CB ' ' O ' ' A' ' 86' ' ' GLU . 0.2 OUTLIER 82.53 -0.33 1.33 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 1.1 t60 70.47 39.91 1.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.592 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.733 ' HA ' HD23 ' A' ' 128' ' ' LEU . 9.3 m-85 -131.95 167.87 18.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -113.51 173.48 6.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.779 HG21 ' CD ' ' A' ' 85' ' ' GLU . 2.7 p -140.05 166.72 23.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.388 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.595 ' CD1' ' O ' ' A' ' 91' ' ' THR . 25.1 m-85 -147.2 133.12 19.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.774 ' O ' HD22 ' A' ' 81' ' ' LEU . 54.5 mt -136.93 135.64 48.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.463 ' O ' ' HB2' ' A' ' 98' ' ' ALA . 0.4 OUTLIER -63.85 138.76 58.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.985 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.671 ' HG3' HD11 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -65.09 -67.97 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.7 tttt -50.53 -29.67 11.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -120.58 59.3 0.91 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.448 1.092 . . . . 0.0 109.582 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.463 ' HB2' ' O ' ' A' ' 94' ' ' SER . . . -102.03 -51.47 3.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.253 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -55.09 -22.54 16.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 110.286 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.522 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 2.4 mtpt -78.18 0.01 26.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 44.91 64.7 1.29 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.522 ' CD1' ' O ' ' A' ' 100' ' ' LYS . 46.8 m0 -111.87 131.81 55.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 107.995 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.674 ' CE1' HD11 ' A' ' 93' ' ' ILE . 98.1 m-85 -114.27 144.45 43.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.764 HG13 HD11 ' A' ' 68' ' ' LEU . 67.7 t -62.5 -84.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 104' ' ' VAL . . . 51.1 173.04 0.01 OUTLIER Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.517 1.135 . . . . 0.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 1.039 HD21 HD12 ' A' ' 18' ' ' LEU . 8.9 mt -138.6 132.42 31.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 0.788 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 111' ' ' SER . 15.9 mttt -54.64 -170.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 22.1 mtmt -97.09 -8.57 29.94 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -89.98 13.38 14.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.342 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 69.61 39.8 78.05 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.483 1.115 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 107' ' ' LYS . 0.6 OUTLIER -136.44 165.29 26.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 0.782 . . . . 0.0 110.003 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 112' ' ' CYS . . . . . 0.971 ' HA ' HD23 ' A' ' 106' ' ' LEU . 29.8 p -71.17 135.55 47.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 108.331 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.48 ' HD3' HG22 ' A' ' 118' ' ' THR . 4.0 tttp -89.89 124.36 34.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.477 ' O ' HG23 ' A' ' 118' ' ' THR . 0.0 OUTLIER -36.13 152.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.521 ' N ' ' CD ' ' A' ' 116' ' ' PRO . . . -74.9 -49.74 9.7 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.455 1.097 . . . . 0.0 111.039 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.521 ' CD ' ' N ' ' A' ' 115' ' ' GLY . 18.2 Cg_endo -75.03 5.06 4.22 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.563 1.823 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.443 ' HG3' ' CB ' ' A' ' 114' ' ' ARG . 8.2 mmt180 -115.46 39.76 2.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.288 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.555 HG21 ' O ' ' A' ' 103' ' ' PHE . 16.6 p -125.46 168.47 13.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.412 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -147.52 158.43 43.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.603 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -90.47 114.44 26.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 111.049 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 125.3 -0.38 8.14 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.509 1.131 . . . . 0.0 111.011 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -86.57 154.66 20.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 0.782 . . . . 0.0 110.325 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.884 ' HA ' HD12 ' A' ' 126' ' ' LEU . 2.7 ttmp? -80.61 -4.97 56.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.52 -64.06 1.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.595 1.185 . . . . 0.0 109.285 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.5 HG22 ' CB ' ' A' ' 103' ' ' PHE . 6.9 pt -45.31 -26.74 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.24 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.884 HD12 ' HA ' ' A' ' 123' ' ' LYS . 48.6 mt -70.86 128.16 35.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -133.75 142.91 48.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.733 HD23 ' HA ' ' A' ' 89' ' ' TYR . 0.1 OUTLIER -132.81 115.93 14.58 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 129' ' ' PRO . . . . . 0.468 ' HA ' ' O ' ' A' ' 8' ' ' LEU . 18.2 Cg_endo -75.02 117.45 4.91 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.464 1.771 . . . . 0.0 111.022 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.427 HD12 ' HE1' ' A' ' 17' ' ' PHE . 58.1 mt -89.64 141.87 28.89 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 119.48 5.66 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.558 1.82 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.435 ' CG2' HD11 ' A' ' 8' ' ' LEU . 1.2 p . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.405 ' HA ' ' HA ' ' A' ' 40' ' ' GLN . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.892 0 N-CA-C 111.013 -0.418 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -143.96 156.83 44.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.658 HD11 ' CG2' ' A' ' 132' ' ' VAL . 1.8 mt -108.84 141.12 41.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.62 HD11 HD13 ' A' ' 51' ' ' ILE . 28.9 mt -91.46 115.96 28.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.553 ' HB2' HD23 ' A' ' 130' ' ' LEU . 61.6 t80 -102.15 120.97 41.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.563 1.164 . . . . 0.0 111.005 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 13' ' ' ASN . 7.2 t -88.48 77.68 8.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 108.3 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.49 ' OG ' ' CG ' ' A' ' 123' ' ' LYS . 80.5 p -37.97 -30.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.957 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 11' ' ' CYS . 34.6 t30 -47.02 -47.98 22.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -123.79 -38.3 0.54 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.479 1.112 . . . . 0.0 111.042 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 11' ' ' CYS . . . 98.98 76.37 1.25 Allowed Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 70.2 m80 -151.34 156.96 41.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 0.0 109.625 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -103.25 143.28 32.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.977 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.531 ' CD1' HD21 ' A' ' 106' ' ' LEU . 15.9 tp -77.44 114.57 16.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.659 ' HB2' HG22 ' A' ' 37' ' ' ILE . 17.8 ttp180 -109.25 141.95 40.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 110.249 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 8.8 mt -123.67 115.65 45.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.484 HD12 ' HB ' ' A' ' 25' ' ' THR . 20.3 mt -90.34 157.51 44.79 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -8.55 20.2 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.546 1.814 . . . . 0.0 110.983 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.66 7.5 33.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.43 40.64 32.46 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.498 1.124 . . . . 0.0 111.02 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.484 ' HB ' HD12 ' A' ' 21' ' ' LEU . 3.5 m -121.82 142.93 49.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 0.751 . . . . 0.0 110.429 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.472 ' CG2' ' O ' ' A' ' 68' ' ' LEU . 9.8 t -135.2 119.08 25.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -148.21 162.35 39.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.342 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -79.2 149.62 32.68 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.569 ' CG2' HG21 ' A' ' 37' ' ' ILE . 5.4 t -161.13 106.37 1.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.771 . . . . 0.0 110.446 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.8 41.92 1.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.343 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 33' ' ' SER . 2.1 t70 -95.42 -15.44 22.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 33' ' ' SER . 3.1 mtm105 66.4 -60.79 0.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 31' ' ' ASP . 0.4 OUTLIER -35.47 -38.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.556 ' OD2' HG21 ' A' ' 29' ' ' THR . 0.4 OUTLIER -47.53 144.25 3.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.09 . . . . 0.0 109.317 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 70.5 mm-40 -107.47 -27.6 10.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 110.318 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 16.5 m80 -67.43 -14.65 63.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.577 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.659 HG22 ' HB2' ' A' ' 19' ' ' ARG . 37.0 pt -73.61 -26.5 21.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.36 102.95 0.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.743 HD23 ' HA ' ' A' ' 53' ' ' SER . 21.6 mt -114.82 146.92 40.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.813 ' HG2' HG22 ' A' ' 54' ' ' THR . 0.0 OUTLIER -105.36 114.95 29.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.304 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.39 136.24 33.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 50' ' ' TYR . 6.3 m -139.75 156.77 46.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 110.011 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -116.26 127.25 54.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -110.07 -47.55 3.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.317 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.16 166.02 14.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.948 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 49.9 t -66.45 119.71 12.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.414 ' O ' ' HA ' ' A' ' 81' ' ' LEU . . . 80.15 7.92 88.09 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.51 1.132 . . . . 0.0 111.009 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.639 ' HB3' HD11 ' A' ' 79' ' ' LEU . 22.9 mt-10 -118.39 140.56 49.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 0.784 . . . . 0.0 110.28 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.3 m -134.43 163.3 37.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.594 ' CE2' HD13 ' A' ' 79' ' ' LEU . 3.8 m-85 -131.15 131.93 44.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 111.037 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.62 HD13 HD11 ' A' ' 9' ' ' LEU . 3.2 mt -113.39 115.47 49.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.403 ' HG2' ' N ' ' A' ' 53' ' ' SER . 7.3 tttp -128.59 143.66 51.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.743 ' HA ' HD23 ' A' ' 39' ' ' LEU . 1.1 t -79.25 127.69 32.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.014 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.813 HG22 ' HG2' ' A' ' 40' ' ' GLN . 63.0 p -84.99 8.75 16.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 110.396 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -111.04 -67.84 0.97 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.286 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 26.6 p -74.66 -45.16 46.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.37 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 99.57 33.68 5.26 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -108.93 165.78 11.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 0.746 . . . . 0.0 110.326 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -108.15 138.22 44.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 111.023 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.508 HD11 HD21 ' A' ' 18' ' ' LEU . 7.6 tp -77.14 115.9 17.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -136.87 148.72 47.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 33.9 ttm -104.72 115.91 31.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 111.033 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.411 ' CG ' ' CE2' ' A' ' 69' ' ' TYR . 0.4 OUTLIER -68.53 -167.41 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 43.1 p -83.72 -10.19 58.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.418 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.568 ' CB ' HD12 ' A' ' 67' ' ' LEU . 34.9 m-20 -85.34 -4.59 59.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.462 ' HA3' ' CD ' ' A' ' 116' ' ' PRO . . . 81.17 2.09 90.31 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.48 1.112 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.568 HD12 ' CB ' ' A' ' 65' ' ' ASP . 3.9 mp -87.01 164.95 16.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 0.76 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 1.002 HD11 HG13 ' A' ' 104' ' ' VAL . 23.2 mt -106.74 126.08 51.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.551 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 2.8 p90 -136.89 163.11 31.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 111.013 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -92.54 127.68 9.07 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 111.029 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.6 t -92.49 140.58 29.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 0.795 . . . . 0.0 109.971 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -73.09 -34.22 66.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.2 p -121.22 158.44 53.02 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.405 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 113.14 3.72 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.461 1.769 . . . . 0.0 111.05 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -126.62 154.2 44.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.61 -25.73 1.25 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 110.245 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.509 ' O ' ' CE1' ' A' ' 80' ' ' PHE . 41.4 mt-10 -62.62 -30.39 71.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.097 . . . . 0.0 110.343 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 55.9 m -77.08 -16.86 59.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 108.329 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.639 HD11 ' HB3' ' A' ' 48' ' ' GLU . 2.4 tp -90.43 120.42 31.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.256 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.509 ' CE1' ' O ' ' A' ' 77' ' ' GLU . 20.8 m-85 -121.17 164.14 17.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 111.004 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.848 HD22 ' O ' ' A' ' 93' ' ' ILE . 0.1 OUTLIER -104.55 126.19 51.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.401 ' HA ' ' O ' ' A' ' 91' ' ' THR . 7.0 tm-20 -109.05 152.56 24.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 110.331 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.55 165.16 37.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.302 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.748 HD13 ' N ' ' A' ' 85' ' ' GLU . 0.3 OUTLIER -97.52 133.25 42.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.748 ' N ' HD13 ' A' ' 84' ' ' LEU . 2.0 mt-10 -114.78 166.19 12.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.407 ' O ' ' O ' ' A' ' 85' ' ' GLU . 0.6 OUTLIER -45.77 172.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.306 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 66.36 -83.93 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.593 ' O ' HD11 ' A' ' 128' ' ' LEU . 0.0 OUTLIER 170.37 41.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.597 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.898 ' CD1' HD13 ' A' ' 128' ' ' LEU . 24.4 m-85 -112.47 164.21 13.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 111.019 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -121.51 162.05 21.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 109.276 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' A' ' 82' ' ' GLU . 0.6 OUTLIER -131.97 167.12 20.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 110.434 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -147.49 132.86 18.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.848 ' O ' HD22 ' A' ' 81' ' ' LEU . 54.8 mt -133.19 140.95 45.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.41 ' O ' ' N ' ' A' ' 98' ' ' ALA . 8.8 t -73.26 138.07 45.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.963 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.416 ' HG3' HD11 ' A' ' 81' ' ' LEU . 1.4 tttt -62.87 -76.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -43.05 -30.15 0.41 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.162 . . . . 0.0 109.264 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -123.39 59.26 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.58 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.496 ' HA ' ' CG2' ' A' ' 93' ' ' ILE . . . -95.56 -55.63 2.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -54.91 -20.07 8.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 110.28 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -74.41 -3.69 32.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 48.7 65.44 1.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.351 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 43.9 m0 -111.3 138.27 47.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 108.011 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -121.72 149.29 43.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 111.035 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 1.002 HG13 HD11 ' A' ' 68' ' ' LEU . 24.6 t -91.43 91.7 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -126.74 166.46 19.52 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.472 1.108 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.964 HD23 ' HA ' ' A' ' 112' ' ' CYS . 2.6 mt -128.61 133.66 48.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 0.778 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 111' ' ' SER . 0.7 OUTLIER -55.55 -172.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -94.09 -9.59 36.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.262 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -91.73 21.44 4.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 63.93 32.91 85.77 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.526 1.141 . . . . 0.0 110.962 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 107' ' ' LYS . 0.4 OUTLIER -120.77 165.25 15.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 0.768 . . . . 0.0 109.989 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 112' ' ' CYS . . . . . 0.964 ' HA ' HD23 ' A' ' 106' ' ' LEU . 21.8 p -76.25 134.24 39.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 108.258 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.468 ' HD3' HG22 ' A' ' 118' ' ' THR . 7.0 tttp -91.43 112.43 24.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.443 ' CB ' ' HG3' ' A' ' 117' ' ' ARG . 1.8 mpp_? -37.21 134.52 0.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.48 ' C ' ' H ' ' A' ' 117' ' ' ARG . . . -56.77 -52.51 50.29 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.511 1.132 . . . . 0.0 111.047 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.477 ' CD ' ' N ' ' A' ' 115' ' ' GLY . 18.4 Cg_endo -75.01 35.66 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.482 1.78 . . . . 0.0 111.027 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.48 ' H ' ' C ' ' A' ' 115' ' ' GLY . 6.7 mmm180 -142.86 19.95 1.98 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.342 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.468 HG22 ' HD3' ' A' ' 113' ' ' LYS . 1.0 OUTLIER -118.88 164.67 15.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.387 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -147.69 166.07 28.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.565 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -85.03 114.28 22.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 110.967 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 132.11 -13.51 5.22 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.469 1.105 . . . . 0.0 110.987 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -81.05 162.58 23.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 0.764 . . . . 0.0 110.307 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.888 ' HA ' HD12 ' A' ' 126' ' ' LEU . 5.4 ttmt -89.31 -0.39 57.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.78 -61.1 2.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 4.4 pt -52.66 -26.9 11.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.145 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.888 HD12 ' HA ' ' A' ' 123' ' ' LYS . 37.7 mt -71.57 107.99 4.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.576 ' CZ ' ' O ' ' A' ' 104' ' ' VAL . 1.3 m-30 -116.01 126.4 53.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.898 HD13 ' CD1' ' A' ' 89' ' ' TYR . 3.0 tp -107.46 115.68 59.08 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' PRO . . . . . 0.449 ' HA ' ' O ' ' A' ' 8' ' ' LEU . 18.1 Cg_endo -75.01 120.54 6.11 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.496 1.787 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.553 HD23 ' HB2' ' A' ' 10' ' ' TYR . 3.9 mm? -97.7 134.63 22.19 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 130' ' ' LEU . 18.4 Cg_endo -74.94 104.3 1.88 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.483 1.78 . . . . 0.0 110.962 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.658 ' CG2' HD11 ' A' ' 8' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.423 ' HG2' ' CG1' ' A' ' 132' ' ' VAL . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.884 0 N-CA-C 110.977 -0.432 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.36 153.44 42.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.142 . . . . 0.0 109.333 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.447 ' O ' ' HA ' ' A' ' 129' ' ' PRO . 0.3 OUTLIER -110.46 144.14 39.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.872 HD21 HD11 ' A' ' 41' ' ' LEU . 21.8 mt -91.79 122.89 34.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.487 ' O ' ' CD1' ' A' ' 127' ' ' PHE . 8.9 t80 -96.21 160.15 14.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 111.046 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 13' ' ' ASN . 46.5 t -138.95 74.68 1.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 108.312 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 11' ' ' CYS . 1.4 p -37.08 -32.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.021 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 11' ' ' CYS . 15.4 t30 -40.34 -67.06 0.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.571 1.169 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -115.55 -22.31 4.8 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.504 1.127 . . . . 0.0 110.968 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 11' ' ' CYS . . . 86.86 75.24 1.27 Allowed Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.512 ' CD2' ' HG2' ' A' ' 30' ' ' ARG . 12.0 m80 -143.71 159.73 41.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 0.751 . . . . 0.0 109.581 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -106.9 140.02 40.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.967 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.701 HD13 HD21 ' A' ' 106' ' ' LEU . 16.7 tp -78.69 115.59 18.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.775 ' HB3' HG22 ' A' ' 37' ' ' ILE . 2.2 ptm180 -116.46 150.46 37.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.349 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.637 HD11 ' HB2' ' A' ' 60' ' ' LEU . 9.5 mt -124.36 113.15 35.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 109.269 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.675 HD21 ' NE ' ' A' ' 19' ' ' ARG . 18.7 mt -80.47 156.45 73.44 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -2.72 12.9 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.49 1.784 . . . . 0.0 111.04 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.52 2.83 55.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.0 43.93 8.5 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.477 1.11 . . . . 0.0 110.966 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.506 ' HB ' HD12 ' A' ' 21' ' ' LEU . 3.0 m -123.93 144.88 49.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 0.773 . . . . 0.0 110.371 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.543 HG11 HD11 ' A' ' 60' ' ' LEU . 4.0 t -134.78 117.49 23.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -148.36 162.09 40.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 110' ' ' GLY . . . -86.35 151.83 24.85 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.513 1.133 . . . . 0.0 110.949 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.403 HG21 ' OD2' ' A' ' 34' ' ' ASP . 1.3 t -158.42 148.36 19.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 0.779 . . . . 0.0 110.402 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.512 ' HG2' ' CD2' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -130.89 48.89 2.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.298 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 33' ' ' SER . 4.2 t0 -105.14 -17.84 14.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 109.264 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 34' ' ' ASP . 7.1 mtm180 65.21 -65.89 0.15 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.559 1.162 . . . . 0.0 110.266 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 31' ' ' ASP . 0.2 OUTLIER -36.54 -33.56 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.995 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 32' ' ' ARG . 3.0 t0 -43.69 127.68 5.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.403 ' O ' ' OE1' ' A' ' 55' ' ' GLU . 41.6 mm-40 -101.6 35.42 2.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 110.323 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.416 ' CD2' ' HG2' ' A' ' 55' ' ' GLU . 40.2 m80 -142.89 17.61 1.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.161 . . . . 0.0 109.638 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.775 HG22 ' HB3' ' A' ' 19' ' ' ARG . 19.8 pt -106.09 -18.94 6.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -67.89 98.65 0.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.295 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 81.9 mt -106.27 147.0 29.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.467 ' HB2' ' CG2' ' A' ' 54' ' ' THR . 0.0 OUTLIER -106.52 114.65 28.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.872 HD11 HD21 ' A' ' 9' ' ' LEU . 0.5 OUTLIER -93.25 136.21 33.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.415 ' O ' ' HA ' ' A' ' 49' ' ' VAL . 3.2 m -141.32 159.69 41.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.995 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -116.52 129.01 55.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.555 1.16 . . . . 0.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.426 ' HG2' ' OG ' ' A' ' 45' ' ' SER . 0.5 OUTLIER -113.15 -41.12 3.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 110.254 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.426 ' OG ' ' HG2' ' A' ' 44' ' ' GLU . 0.9 OUTLIER -128.53 165.99 19.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.432 1.082 . . . . 0.0 109.985 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.1 t -63.97 117.12 4.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.44 1.088 . . . . 0.0 109.316 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.18 9.38 86.67 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.463 1.102 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.557 ' HB3' HD11 ' A' ' 79' ' ' LEU . 23.6 mt-10 -116.56 140.93 48.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 0.762 . . . . 0.0 110.304 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.415 ' HA ' ' O ' ' A' ' 42' ' ' SER . 19.9 m -137.74 152.54 26.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.425 ' CE2' HD22 ' A' ' 79' ' ' LEU . 1.3 m-85 -122.33 132.69 54.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.477 HD12 HD23 ' A' ' 60' ' ' LEU . 4.7 mt -112.44 125.18 69.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -135.35 140.84 45.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.26 121.38 24.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.043 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.467 ' CG2' ' HB2' ' A' ' 40' ' ' GLN . 68.4 p -81.45 -3.6 53.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.358 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.416 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 11.0 tp10 -99.74 -69.61 0.76 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 22.2 p -70.38 -62.37 1.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.425 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 120.29 38.88 0.66 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -121.92 164.8 16.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 0.747 . . . . 0.0 110.294 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -108.13 141.05 40.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.637 ' HB2' HD11 ' A' ' 20' ' ' ILE . 7.3 tp -77.02 113.05 14.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.105 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.439 ' HB2' ' SG ' ' A' ' 78' ' ' CYS . . . -134.69 152.47 51.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 36.6 tpp -104.11 136.93 42.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.529 ' CG ' ' CE2' ' A' ' 69' ' ' TYR . 0.7 OUTLIER -91.52 -170.38 2.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 58.0 p -81.45 -21.12 39.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.429 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.464 ' CB ' HD22 ' A' ' 67' ' ' LEU . 2.2 m-20 -77.38 -2.88 37.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 81.51 -2.44 82.4 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.538 1.149 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.464 HD22 ' CB ' ' A' ' 65' ' ' ASP . 0.5 OUTLIER -85.67 156.26 20.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 0.792 . . . . 0.0 109.313 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.49 HD11 HG13 ' A' ' 104' ' ' VAL . 35.3 mt -96.15 142.17 28.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.554 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 2.9 p90 -151.06 162.19 41.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.975 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -93.98 130.41 10.3 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.8 t -96.08 139.89 31.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 0.784 . . . . 0.0 110.023 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -70.33 -34.9 73.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.3 p -120.59 159.06 49.86 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.415 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 111.79 3.41 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.501 1.79 . . . . 0.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -124.53 154.57 40.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.41 -25.4 1.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.323 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.426 ' O ' ' CE1' ' A' ' 80' ' ' PHE . 25.2 mt-10 -65.11 -27.82 69.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.097 . . . . 0.0 110.295 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.439 ' SG ' ' HB2' ' A' ' 61' ' ' ALA . 63.6 m -79.56 -15.63 57.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 108.288 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.557 HD11 ' HB3' ' A' ' 48' ' ' GLU . 2.0 tp -89.8 124.87 35.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.588 ' C ' HD13 ' A' ' 81' ' ' LEU . 13.0 m-85 -125.0 165.04 18.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.575 1.172 . . . . 0.0 110.997 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.811 HD22 ' O ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -103.93 129.73 51.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.319 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.55 146.18 36.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.322 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.499 ' HG3' ' N ' ' A' ' 84' ' ' LEU . 16.1 tpt180 -143.86 151.08 39.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.499 ' N ' ' HG3' ' A' ' 83' ' ' ARG . 0.6 OUTLIER -95.45 126.26 40.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.493 ' N ' HD13 ' A' ' 84' ' ' LEU . 5.2 mm-40 -99.52 160.72 14.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.247 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -83.83 51.09 1.95 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -158.08 26.55 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 59.2 m-70 53.37 43.41 31.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.566 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.44 ' CE1' HD12 ' A' ' 128' ' ' LEU . 4.3 m-85 -143.81 143.69 31.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.437 ' N ' ' OD1' ' A' ' 90' ' ' ASN . 0.7 OUTLIER -114.48 156.86 23.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 109.352 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.487 HG22 ' O ' ' A' ' 125' ' ' ILE . 60.5 p -126.67 170.67 11.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 110.361 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.475 ' HE2' HD22 ' A' ' 9' ' ' LEU . 30.9 m-85 -143.64 133.12 23.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.811 ' O ' HD22 ' A' ' 81' ' ' LEU . 16.6 mt -131.27 140.3 48.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.6 t -66.49 138.74 57.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 109.981 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.789 ' HG3' HD11 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -67.3 -72.46 0.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -44.26 -29.14 0.61 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 109.254 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -122.02 51.14 1.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.615 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -84.15 -48.08 10.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -65.97 -10.52 40.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.278 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.542 ' HD2' ' CZ2' ' A' ' 102' ' ' TRP . 14.4 mttt -83.12 -9.7 59.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 52.71 63.77 2.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.165 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.567 ' CD1' ' C ' ' A' ' 115' ' ' GLY . 46.0 m0 -113.21 131.83 55.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 107.994 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.58 ' CE2' HD11 ' A' ' 93' ' ' ILE . 64.8 m-85 -116.78 148.96 40.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.985 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.549 ' CG1' HD22 ' A' ' 18' ' ' LEU . 8.3 t -76.49 -17.72 14.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.145 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.565 ' HA2' ' CE1' ' A' ' 127' ' ' PHE . . . -31.96 139.92 0.06 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.922 HD23 ' HA ' ' A' ' 112' ' ' CYS . 1.1 mt -106.83 160.72 15.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 0.765 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 111' ' ' SER . 20.1 mttt -72.45 -170.82 0.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.436 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 0.3 OUTLIER -74.66 -29.87 61.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.421 1.076 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ASN . . . . . 0.417 ' N ' ' HG3' ' A' ' 108' ' ' LYS . 16.2 p-10 -83.89 16.03 3.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . 62.25 43.53 98.97 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.533 1.146 . . . . 0.0 111.037 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.438 ' O ' ' HA ' ' A' ' 106' ' ' LEU . 0.4 OUTLIER -112.94 147.16 37.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 0.784 . . . . 0.0 109.982 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 112' ' ' CYS . . . . . 0.922 ' HA ' HD23 ' A' ' 106' ' ' LEU . 18.4 p -65.96 128.87 37.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 108.307 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.851 ' HD3' HG22 ' A' ' 118' ' ' THR . 10.4 tttp -90.48 115.82 27.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.431 ' CB ' ' HG3' ' A' ' 117' ' ' ARG . 0.1 OUTLIER -38.38 132.13 1.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.32 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.567 ' C ' ' CD1' ' A' ' 102' ' ' TRP . . . -46.94 -59.07 5.8 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 34.21 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.527 1.804 . . . . 0.0 111.06 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.501 ' H ' ' C ' ' A' ' 115' ' ' GLY . 5.9 mmm180 -143.12 19.35 1.93 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 110.277 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.851 HG22 ' HD3' ' A' ' 113' ' ' LYS . 2.9 p -125.84 163.19 23.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.411 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -169.01 -171.42 1.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.596 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -87.93 144.64 26.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 111.001 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 108.8 -22.97 24.92 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.515 1.134 . . . . 0.0 110.972 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -79.57 144.64 33.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 0.78 . . . . 0.0 110.287 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.487 ' HG3' HD12 ' A' ' 126' ' ' LEU . 21.8 ttmt -92.7 28.68 1.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.451 ' O ' ' CA ' ' A' ' 105' ' ' GLY . . . -106.73 -31.0 8.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.137 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.557 HG22 ' CB ' ' A' ' 103' ' ' PHE . 15.7 pt -77.56 -27.65 15.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.487 HD12 ' HG3' ' A' ' 123' ' ' LYS . 76.7 mt -65.47 103.95 0.91 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.11 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.565 ' CE1' ' HA2' ' A' ' 105' ' ' GLY . 2.2 m-30 -115.9 149.8 38.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.939 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.806 HD23 ' HD2' ' A' ' 129' ' ' PRO . 0.5 OUTLIER -131.11 115.61 16.5 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 129' ' ' PRO . . . . . 0.806 ' HD2' HD23 ' A' ' 128' ' ' LEU . 18.2 Cg_endo -75.0 107.21 2.43 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.509 1.794 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.738 HD22 ' O ' ' A' ' 128' ' ' LEU . 2.1 mm? -87.34 141.59 32.7 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 130' ' ' LEU . 18.1 Cg_endo -75.06 128.08 11.15 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.474 1.776 . . . . 0.0 110.973 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.445 ' CG2' HD11 ' A' ' 8' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.893 0 N-CA-C 110.987 -0.428 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.28 164.03 29.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.46 ' O ' ' HA ' ' A' ' 129' ' ' PRO . 0.8 OUTLIER -109.21 141.78 40.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.421 HD11 HD21 ' A' ' 41' ' ' LEU . 2.9 mm? -91.78 117.78 30.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.338 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.567 ' CE1' ' HA2' ' A' ' 15' ' ' GLY . 64.7 t80 -98.38 154.31 17.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.972 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 15' ' ' GLY . 53.6 t -131.84 79.13 1.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 108.33 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.447 ' HA ' ' CE2' ' A' ' 10' ' ' TYR . 2.1 t -37.88 -32.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.0 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 11' ' ' CYS . 30.9 t30 -42.97 -53.18 4.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -119.71 -35.8 0.88 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.567 ' HA2' ' CE1' ' A' ' 10' ' ' TYR . . . 94.5 65.56 1.01 Allowed Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 55.5 m80 -140.55 162.68 34.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.442 0.73 . . . . 0.0 109.577 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -104.5 143.04 33.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.728 ' CD1' HD11 ' A' ' 106' ' ' LEU . 13.0 tp -77.78 112.02 14.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.659 ' HB2' HG22 ' A' ' 37' ' ' ILE . 17.9 ttp180 -108.82 140.02 42.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.158 . . . . 0.0 110.313 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.609 HD11 ' HB2' ' A' ' 60' ' ' LEU . 33.7 mt -119.94 103.25 13.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 19.6 mt -74.0 155.3 88.56 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.347 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -0.7 10.3 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.483 1.78 . . . . 0.0 110.984 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -94.8 7.06 47.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.25 36.28 35.33 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.532 1.145 . . . . 0.0 111.02 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.4 m -115.69 146.63 41.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 0.781 . . . . 0.0 110.4 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.2 t -135.38 114.21 16.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.411 1.069 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -148.88 162.81 39.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.63 137.93 17.5 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.52 1.137 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.435 ' CG2' ' CG2' ' A' ' 37' ' ' ILE . 4.4 t -141.36 118.39 11.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 0.758 . . . . 0.0 110.358 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.2 ttt180 -93.98 56.06 2.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.446 ' O ' ' C ' ' A' ' 32' ' ' ARG . 5.7 t0 -142.64 79.91 1.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.588 ' HA ' HD11 ' A' ' 37' ' ' ILE . 2.7 mpp_? -35.59 -44.82 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.459 ' C ' ' O ' ' A' ' 32' ' ' ARG . 0.3 OUTLIER -35.07 -41.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.983 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.403 ' OD2' ' NH1' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -43.75 123.12 3.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -92.5 34.91 1.03 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.255 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.563 ' CD2' ' HG2' ' A' ' 55' ' ' GLU . 24.6 m80 -130.37 -45.38 1.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.583 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.659 HG22 ' HB2' ' A' ' 19' ' ' ARG . 30.1 pt -43.33 -27.8 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.434 ' N ' ' C ' ' A' ' 36' ' ' HIS . 5.2 mt-30 -59.63 82.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.67 HD23 ' HA ' ' A' ' 53' ' ' SER . 41.9 mt -88.53 148.04 24.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.255 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.466 ' HB2' HG22 ' A' ' 54' ' ' THR . 0.0 OUTLIER -104.43 114.39 28.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.147 . . . . 0.0 110.294 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.87 ' CD1' HG23 ' A' ' 51' ' ' ILE . 0.2 OUTLIER -97.18 133.85 41.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.564 1.165 . . . . 0.0 109.26 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.6 m -143.77 156.03 44.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.988 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -114.54 124.53 52.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -108.36 -41.36 4.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.68 163.3 23.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.99 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 55.0 t -62.18 119.8 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.87 13.92 83.13 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.115 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.692 ' HB3' HD11 ' A' ' 79' ' ' LEU . 15.4 mt-10 -120.79 136.72 54.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 0.746 . . . . 0.0 110.284 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 32.8 m -136.33 149.29 27.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.8 ' CE2' HD13 ' A' ' 79' ' ' LEU . 7.5 m-85 -116.92 132.02 56.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.87 HG23 ' CD1' ' A' ' 41' ' ' LEU . 4.2 mt -115.87 121.82 68.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.249 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -142.21 153.46 44.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.67 ' HA ' HD23 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -84.28 137.48 33.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.989 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.466 HG22 ' HB2' ' A' ' 40' ' ' GLN . 58.6 p -94.45 8.91 40.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 110.442 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.563 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 4.5 tp10 -103.83 -70.64 0.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 27.1 p -74.94 -54.89 6.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.402 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 115.27 41.31 0.82 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.474 1.109 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.514 ' NE2' HG22 ' A' ' 20' ' ' ILE . 6.3 mt-30 -115.56 156.44 25.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 0.754 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.458 ' CE1' ' HB3' ' A' ' 74' ' ' PRO . 54.5 m-85 -103.45 140.88 36.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 110.989 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.609 ' HB2' HD11 ' A' ' 20' ' ' ILE . 5.0 tp -80.73 116.74 20.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.251 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -138.4 155.42 48.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 50.9 ttm -109.95 115.88 30.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.54 ' CG ' ' CE2' ' A' ' 69' ' ' TYR . 1.1 m-20 -69.93 -172.14 0.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.3 p -82.15 -2.23 51.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 110.395 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -86.54 -13.57 45.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.08 -8.43 77.83 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.535 1.147 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.487 ' N ' HD13 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -91.68 164.93 13.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 0.778 . . . . 0.0 109.286 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.828 HD11 HG13 ' A' ' 104' ' ' VAL . 5.7 mt -101.05 141.73 33.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.54 ' CE2' ' CG ' ' A' ' 63' ' ' ASP . 4.8 p90 -139.71 166.75 23.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.138 . . . . 0.0 111.009 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -89.58 119.7 5.57 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.83 140.22 29.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 0.751 . . . . 0.0 109.987 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -77.86 -31.19 51.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.28 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.7 p -131.95 155.94 80.73 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.425 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.458 ' HB3' ' CE1' ' A' ' 59' ' ' TYR . 18.4 Cg_endo -74.99 110.54 3.14 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.503 1.791 . . . . 0.0 110.977 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 60.3 m-80 -124.29 157.61 34.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -46.32 -25.54 0.66 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.27 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -61.58 -31.78 71.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.323 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.423 ' SG ' ' CB ' ' A' ' 59' ' ' TYR . 24.6 m -75.72 -16.5 60.14 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 108.331 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.8 HD13 ' CE2' ' A' ' 50' ' ' TYR . 4.1 tp -85.29 119.55 25.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -117.84 165.66 13.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.575 HD21 ' HA ' ' A' ' 95' ' ' LYS . 1.3 mm? -103.04 123.43 46.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.422 ' HG2' ' N ' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -108.99 144.79 36.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.342 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.422 ' N ' ' HG2' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -142.55 166.23 25.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.354 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.642 HD22 ' N ' ' A' ' 85' ' ' GLU . 0.3 OUTLIER -97.73 112.55 24.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.642 ' N ' HD22 ' A' ' 84' ' ' LEU . 8.7 mm-40 -105.29 151.78 23.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -56.25 176.43 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.327 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 68.11 9.81 7.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.127 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 37.5 m170 62.29 61.49 1.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.554 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.828 ' CD1' HD13 ' A' ' 128' ' ' LEU . 2.3 m-85 -143.62 151.5 40.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 110.999 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.403 ' OD1' ' N ' ' A' ' 90' ' ' ASN . 0.8 OUTLIER -113.31 160.29 18.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.27 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.552 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 24.3 p -130.03 171.62 12.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.428 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.552 ' CD1' ' O ' ' A' ' 91' ' ' THR . 33.8 m-85 -149.86 132.98 16.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 111.026 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.733 HD11 ' CE2' ' A' ' 103' ' ' PHE . 34.4 mt -134.33 143.75 37.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.266 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 98' ' ' ALA . 0.2 OUTLIER -69.24 138.71 54.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.039 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.575 ' HA ' HD21 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -67.04 -65.35 0.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.572 ' HB3' ' CD2' ' A' ' 97' ' ' HIS . 18.7 tttt -51.2 -22.69 2.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.572 ' CD2' ' HB3' ' A' ' 96' ' ' LYS . 0.1 OUTLIER -123.77 41.53 3.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.572 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 94' ' ' SER . . . -76.64 -41.69 44.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.41 ' O ' ' OD1' ' A' ' 101' ' ' ASN . 4.3 pt-20 -68.84 -22.2 64.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 110.293 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.534 ' HD3' ' CZ2' ' A' ' 102' ' ' TRP . 0.9 OUTLIER -74.56 -9.87 59.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.41 ' OD1' ' O ' ' A' ' 99' ' ' GLU . 0.4 OUTLIER 50.13 65.04 1.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.6 ' O ' HG23 ' A' ' 93' ' ' ILE . 51.2 m0 -111.99 131.98 55.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 108.036 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.733 ' CE2' HD11 ' A' ' 93' ' ' ILE . 88.5 m-85 -115.64 148.2 39.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 111.033 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.828 HG13 HD11 ' A' ' 68' ' ' LEU . 40.6 t -87.44 125.78 41.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.485 ' HA2' ' CE1' ' A' ' 127' ' ' PHE . . . -161.15 165.94 35.54 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.54 1.15 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.759 HD23 ' HA ' ' A' ' 112' ' ' CYS . 8.9 mt -134.16 137.11 44.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 0.767 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.2 mmtm -64.84 -168.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -82.73 -23.29 34.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -86.29 7.23 26.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 73.53 35.23 56.04 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.529 1.143 . . . . 0.0 111.018 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.401 ' O ' ' HA ' ' A' ' 106' ' ' LEU . 37.5 m -109.2 141.7 41.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.766 . . . . 0.0 110.01 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' CYS . . . . . 0.759 ' HA ' HD23 ' A' ' 106' ' ' LEU . 17.6 p -66.39 135.25 54.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 108.276 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.838 ' HE3' HG22 ' A' ' 118' ' ' THR . 28.5 ttpt -90.1 121.85 32.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 113' ' ' LYS . 0.2 OUTLIER -36.67 132.77 0.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.284 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.58 ' N ' ' CD ' ' A' ' 116' ' ' PRO . . . -61.22 -46.46 94.44 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.443 1.089 . . . . 0.0 110.984 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.58 ' CD ' ' N ' ' A' ' 115' ' ' GLY . 18.2 Cg_endo -75.03 3.01 6.01 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.497 1.788 . . . . 0.0 110.992 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.403 ' HG3' ' CB ' ' A' ' 114' ' ' ARG . 4.9 mmt-85 -115.39 41.38 2.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.361 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.838 HG22 ' HE3' ' A' ' 113' ' ' LYS . 18.6 p -122.52 166.92 14.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.383 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.444 ' ND1' ' O ' ' A' ' 118' ' ' THR . 0.0 OUTLIER -176.48 175.11 1.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.58 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.418 ' CE1' ' CZ ' ' A' ' 103' ' ' PHE . 30.7 m-85 -88.22 123.36 32.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.988 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 133.86 -23.22 3.76 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.473 1.108 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -80.06 151.41 29.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 110.246 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.58 ' HA ' HD12 ' A' ' 126' ' ' LEU . 22.9 ttmt -93.28 21.64 5.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -98.65 -52.99 3.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 3.7 pt -55.16 -25.36 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.257 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.58 HD12 ' HA ' ' A' ' 123' ' ' LYS . 23.9 mt -73.12 109.7 6.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.485 ' CE1' ' HA2' ' A' ' 105' ' ' GLY . 1.8 m-30 -118.89 145.1 45.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.828 HD13 ' CD1' ' A' ' 89' ' ' TYR . 3.7 tp -130.4 116.78 17.57 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.16 . . . . 0.0 109.318 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' PRO . . . . . 0.46 ' HA ' ' O ' ' A' ' 8' ' ' LEU . 18.2 Cg_endo -75.02 128.01 11.13 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.511 1.795 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.421 HD23 ' HB2' ' A' ' 10' ' ' TYR . 3.9 mm? -101.69 132.28 21.9 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.348 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 103.73 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.447 1.761 . . . . 0.0 111.0 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 4.7 p . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.332 179.972 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.768 ' O ' HG12 ' A' ' 132' ' ' VAL . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.906 0 N-CA-C 110.979 -0.431 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.472 ' C ' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -140.77 172.31 12.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.727 ' HG ' HD12 ' A' ' 37' ' ' ILE . 0.7 OUTLIER -110.62 159.25 17.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 29.1 mt -108.06 104.23 13.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.712 ' HB2' HD23 ' A' ' 130' ' ' LEU . 33.2 t80 -83.81 166.28 18.1 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.494 ' O ' ' C ' ' A' ' 12' ' ' SER . 53.3 t -141.18 78.36 1.64 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 108.311 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.494 ' C ' ' O ' ' A' ' 11' ' ' CYS . 0.8 OUTLIER -32.3 -40.66 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.02 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 11' ' ' CYS . 24.6 t30 -38.3 -64.82 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -109.09 -30.72 3.55 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.509 1.131 . . . . 0.0 111.023 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.488 ' HA2' ' CZ ' ' A' ' 10' ' ' TYR . . . 87.35 76.34 1.27 Allowed Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.579 ' CD2' ' HB2' ' A' ' 30' ' ' ARG . 49.8 m80 -151.04 158.03 43.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 0.774 . . . . 0.0 109.638 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.589 ' CD1' ' HB3' ' A' ' 8' ' ' LEU . 21.5 m-85 -96.86 141.4 30.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.5 tp -78.75 110.31 13.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.794 ' HB3' HG22 ' A' ' 37' ' ' ILE . 5.2 ptm180 -116.61 154.08 31.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.795 HD11 ' HB2' ' A' ' 60' ' ' LEU . 47.1 mt -125.24 111.01 26.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.518 HD21 ' NE ' ' A' ' 19' ' ' ARG . 33.6 mt -72.12 157.92 88.51 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.246 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 0.71 8.61 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.489 1.784 . . . . 0.0 110.976 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.66 -17.57 19.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.69 46.37 1.52 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.47 ' CG2' ' OD2' ' A' ' 27' ' ' ASP . 1.1 m -126.53 147.89 49.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 0.76 . . . . 0.0 110.409 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.7 t -134.47 110.87 13.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.13 . . . . 0.0 109.253 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.47 ' OD2' ' CG2' ' A' ' 25' ' ' THR . 0.7 OUTLIER -149.02 162.59 39.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.085 . . . . 0.0 109.313 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -79.47 136.31 17.0 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.564 1.165 . . . . 0.0 110.95 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.496 ' O ' ' C ' ' A' ' 30' ' ' ARG . 12.8 t -123.73 -1.12 8.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 0.787 . . . . 0.0 110.384 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.579 ' HB2' ' CD2' ' A' ' 16' ' ' HIS . 0.2 OUTLIER 31.55 41.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.276 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.677 ' O ' HD13 ' A' ' 37' ' ' ILE . 0.3 OUTLIER -130.88 128.43 40.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.486 ' HG2' ' CE2' ' A' ' 17' ' ' PHE . 2.3 mtm180 -88.76 -22.94 23.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.01 -57.17 14.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.965 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -43.92 148.51 0.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -102.7 -25.91 13.37 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.526 1.141 . . . . 0.0 110.327 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.571 ' CD2' ' HG2' ' A' ' 55' ' ' GLU . 70.5 m80 -59.66 -15.31 18.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.594 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.794 HG22 ' HB3' ' A' ' 19' ' ' ARG . 2.7 pt -80.28 -36.33 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.51 ' HG2' HG11 ' A' ' 132' ' ' VAL . 60.3 mt-30 -55.66 95.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.238 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 53' ' ' SER . 41.1 mt -100.66 147.64 25.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.465 ' HG3' HG21 ' A' ' 54' ' ' THR . 0.0 OUTLIER -103.4 117.3 34.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 0.0 110.323 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.6 mp -99.99 136.27 40.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.41 ' O ' ' HA ' ' A' ' 49' ' ' VAL . 9.6 m -141.37 160.86 39.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.98 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -115.82 124.04 49.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.467 ' HG2' ' OG ' ' A' ' 45' ' ' SER . 0.5 OUTLIER -105.78 -45.42 4.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 110.31 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.467 ' OG ' ' HG2' ' A' ' 44' ' ' GLU . 0.8 OUTLIER -128.83 166.75 18.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 110.026 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.6 p -61.15 121.68 9.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.257 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.48 14.66 79.38 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.538 1.149 . . . . 0.0 110.991 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.769 ' HB3' HD11 ' A' ' 79' ' ' LEU . 14.0 mt-10 -122.69 131.12 53.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 0.741 . . . . 0.0 110.313 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.538 ' O ' HD12 ' A' ' 79' ' ' LEU . 15.3 m -129.64 153.31 38.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.499 ' CZ ' ' HB2' ' A' ' 79' ' ' LEU . 1.4 m-85 -120.99 131.44 54.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.157 . . . . 0.0 110.975 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.63 HD12 HD23 ' A' ' 60' ' ' LEU . 20.9 mt -110.7 128.45 67.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.26 152.57 44.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.423 ' HA ' HD23 ' A' ' 39' ' ' LEU . 0.3 OUTLIER -92.0 128.55 37.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.057 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.465 HG21 ' HG3' ' A' ' 40' ' ' GLN . 20.7 p -90.41 8.53 33.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.132 . . . . 0.0 110.412 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.571 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 35.9 tp10 -103.36 -67.03 0.9 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.325 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 43.7 p -80.82 -41.98 22.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 110.381 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 102.52 39.15 2.84 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.132 . . . . 0.0 111.008 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -119.69 156.38 30.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.77 . . . . 0.0 110.299 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -98.84 139.29 34.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.974 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.795 ' HB2' HD11 ' A' ' 20' ' ' ILE . 4.0 tp -77.67 119.5 21.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.468 ' HB2' ' SG ' ' A' ' 78' ' ' CYS . . . -139.67 149.64 43.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 38.7 ttm -103.2 116.14 31.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.977 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -65.53 172.85 3.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.253 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.8 p -66.14 -35.97 81.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.385 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -54.46 -31.65 56.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 111.57 6.18 25.38 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.517 1.136 . . . . 0.0 110.976 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.447 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 0.8 OUTLIER -96.5 161.23 14.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 0.756 . . . . 0.0 109.308 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.793 HD11 HG13 ' A' ' 104' ' ' VAL . 9.9 mt -99.11 139.0 35.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.572 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 1.8 p90 -150.13 154.89 38.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -85.65 125.51 7.32 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.524 1.14 . . . . 0.0 110.97 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.3 t -90.33 139.74 30.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 0.747 . . . . 0.0 110.006 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.13 -36.86 84.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.279 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.9 p -123.12 159.02 56.08 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.403 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 103.23 1.7 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.493 1.786 . . . . 0.0 111.035 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 18.2 m-20 -115.37 157.41 23.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 109.323 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -47.38 -35.56 8.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 110.292 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -57.32 -21.31 34.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 110.301 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.468 ' SG ' ' HB2' ' A' ' 61' ' ' ALA . 74.4 m -85.24 -16.89 38.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 108.305 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.769 HD11 ' HB3' ' A' ' 48' ' ' GLU . 9.5 tp -87.45 128.09 35.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.453 ' C ' HD13 ' A' ' 81' ' ' LEU . 15.8 m-85 -128.07 166.05 19.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.5 HD12 ' HG2' ' A' ' 48' ' ' GLU . 0.6 OUTLIER -102.65 127.5 49.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.412 ' HA ' ' O ' ' A' ' 91' ' ' THR . 4.4 tm-20 -108.85 147.26 32.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 110.297 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.76 155.46 29.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 110.338 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.453 HD22 ' N ' ' A' ' 85' ' ' GLU . 2.0 tm? -92.4 120.75 33.21 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.469 ' HG3' ' CG2' ' A' ' 91' ' ' THR . 9.4 mm-40 -97.76 167.82 10.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.465 ' O ' ' O ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -46.51 177.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.31 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 36.8 m-20 62.89 -89.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 175.32 52.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.605 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.716 ' CE1' HD22 ' A' ' 128' ' ' LEU . 33.2 m-85 -128.35 164.92 21.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.103 . . . . 0.0 110.986 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -122.17 151.48 40.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.469 ' CG2' ' HG3' ' A' ' 85' ' ' GLU . 8.5 p -126.45 150.28 48.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.374 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -130.54 132.68 45.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 111.04 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.941 HD11 ' CE2' ' A' ' 103' ' ' PHE . 65.2 mt -130.7 143.48 40.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.404 ' O ' ' CA ' ' A' ' 98' ' ' ALA . 7.4 t -70.4 138.48 51.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.979 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 98' ' ' ALA . 0.4 OUTLIER -67.25 -77.16 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 95' ' ' LYS . 3.2 mttt -40.27 -30.88 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.418 ' N ' ' C ' ' A' ' 95' ' ' LYS . 0.7 OUTLIER -120.82 51.86 1.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.641 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 95' ' ' LYS . . . -87.25 -47.93 8.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -58.78 -20.58 51.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.291 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.562 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 3.8 mtpt -75.87 -3.78 37.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 45.98 64.26 1.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.168 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.562 ' CD1' ' O ' ' A' ' 100' ' ' LYS . 50.7 m0 -112.13 130.98 55.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 107.986 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.941 ' CE2' HD11 ' A' ' 93' ' ' ILE . 95.5 m-85 -116.26 148.83 40.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 110.959 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.793 HG13 HD11 ' A' ' 68' ' ' LEU . 21.3 t -85.42 118.03 31.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -158.45 161.57 31.81 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.546 1.154 . . . . 0.0 110.968 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.837 HD23 ' HA ' ' A' ' 112' ' ' CYS . 6.9 mt -125.45 156.89 38.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 0.783 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -82.77 -172.06 3.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.9 ttmt -78.0 -20.69 52.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -86.8 4.28 41.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.291 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 73.91 34.63 55.65 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.523 1.139 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.404 ' O ' ' HA ' ' A' ' 106' ' ' LEU . 96.3 p -111.6 146.43 37.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 0.783 . . . . 0.0 109.977 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' CYS . . . . . 0.837 ' HA ' HD23 ' A' ' 106' ' ' LEU . 17.2 p -65.89 135.5 54.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 108.297 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.0 ttmm -89.97 125.67 35.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.259 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.48 129.26 4.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.32 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.514 ' N ' ' CD ' ' A' ' 116' ' ' PRO . . . -54.41 -50.36 56.89 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.496 1.123 . . . . 0.0 110.946 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.514 ' CD ' ' N ' ' A' ' 115' ' ' GLY . 18.3 Cg_endo -74.96 33.57 0.38 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.476 1.777 . . . . 0.0 110.979 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.507 ' H ' ' C ' ' A' ' 115' ' ' GLY . 3.4 mmt-85 -143.03 22.65 1.91 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.254 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 2.6 p -114.27 160.7 18.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.363 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -175.63 179.58 1.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.577 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -79.49 144.33 34.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 108.96 -24.68 20.86 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -81.34 149.7 28.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 0.776 . . . . 0.0 110.257 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 3.1 ttmm -93.62 23.78 4.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -95.78 -56.47 2.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.138 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.706 HG22 ' CB ' ' A' ' 103' ' ' PHE . 12.1 pt -47.81 -41.54 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.423 ' HB3' ' CG ' ' A' ' 89' ' ' TYR . 31.3 mt -59.79 107.64 0.64 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -115.52 133.42 56.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.982 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.716 HD22 ' CE1' ' A' ' 89' ' ' TYR . 5.4 tp -114.59 104.18 54.53 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' PRO . . . . . 0.511 ' HA ' ' O ' ' A' ' 8' ' ' LEU . 18.1 Cg_endo -75.02 119.27 5.57 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.503 1.791 . . . . 0.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.712 HD23 ' HB2' ' A' ' 10' ' ' TYR . 3.7 mm? -97.4 127.18 38.96 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 128.01 11.1 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.449 1.762 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.768 HG12 ' O ' ' A' ' 6' ' ' PRO . 3.1 p . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.914 0 N-CA-C 110.997 -0.424 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.415 ' N ' ' CD ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -140.48 177.35 8.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.276 -179.932 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.735 HD22 HD12 ' A' ' 37' ' ' ILE . 2.7 mt -123.38 138.4 54.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.451 ' HB3' ' CD2' ' A' ' 127' ' ' PHE . 23.4 mt -91.99 110.85 22.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.505 ' CE1' ' HA2' ' A' ' 15' ' ' GLY . 54.3 t80 -88.3 151.87 22.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.409 ' O ' ' C ' ' A' ' 12' ' ' SER . 9.2 t -122.46 81.39 1.84 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 108.254 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.479 ' HA ' ' CE2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -38.07 -40.59 0.5 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.02 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.41 ' N ' ' HG2' ' A' ' 123' ' ' LYS . 48.0 t30 -67.68 70.34 0.12 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 12' ' ' SER . . . 121.25 -46.32 1.13 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.505 ' HA2' ' CE1' ' A' ' 10' ' ' TYR . . . 92.0 87.36 1.49 Allowed Glycine 0 CA--C 1.531 1.042 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.556 ' CD2' ' HG2' ' A' ' 30' ' ' ARG . 61.5 m80 -154.79 160.72 41.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 0.785 . . . . 0.0 109.651 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -113.22 141.58 46.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 111.021 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.768 ' CD1' HD21 ' A' ' 106' ' ' LEU . 11.5 tp -79.01 122.41 26.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.591 ' HB3' HG22 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -125.25 151.31 46.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.687 HD11 ' HB2' ' A' ' 60' ' ' LEU . 71.4 mt -124.5 111.74 29.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.482 HD21 ' HD2' ' A' ' 19' ' ' ARG . 29.2 mt -82.07 157.65 68.3 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 0.57 8.77 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.464 1.771 . . . . 0.0 110.981 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.91 3.27 49.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.76 47.99 7.46 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.565 1.166 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.8 m -125.61 141.16 52.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 0.751 . . . . 0.0 110.37 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.1 t -135.06 113.28 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -148.66 162.11 40.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.107 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -84.7 142.25 20.01 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.47 1.107 . . . . 0.0 111.059 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.555 HG21 ' OD2' ' A' ' 34' ' ' ASP . 9.0 t -146.19 132.99 20.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 0.754 . . . . 0.0 110.399 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.556 ' HG2' ' CD2' ' A' ' 16' ' ' HIS . 9.3 ptt180 -103.59 56.11 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.321 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -142.51 88.28 2.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 33' ' ' SER . 0.1 OUTLIER -39.97 -36.38 0.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.266 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 32' ' ' ARG . 0.1 OUTLIER -38.32 -51.16 1.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.971 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.555 ' OD2' HG21 ' A' ' 29' ' ' THR . 0.6 OUTLIER -44.38 141.34 1.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -107.97 -16.35 14.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.331 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.4 ' CD2' ' HG2' ' A' ' 55' ' ' GLU . 9.0 m80 -76.0 -7.42 54.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.597 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.735 HD12 HD22 ' A' ' 8' ' ' LEU . 14.6 pt -83.37 -16.74 11.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.42 ' HG2' HG11 ' A' ' 132' ' ' VAL . 28.4 mt-30 -67.16 83.63 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.255 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.688 HD23 ' HA ' ' A' ' 53' ' ' SER . 44.9 mt -93.98 144.18 25.69 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.587 1.18 . . . . 0.0 109.345 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.58 ' HG3' HG21 ' A' ' 54' ' ' THR . 0.0 OUTLIER -106.87 114.9 29.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.302 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.868 HD11 HG23 ' A' ' 51' ' ' ILE . 0.3 OUTLIER -95.52 133.69 39.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.329 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.434 ' O ' ' HA ' ' A' ' 49' ' ' VAL . 2.4 m -133.73 161.31 35.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.004 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -118.79 130.22 55.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.619 ' OE2' ' CD2' ' A' ' 50' ' ' TYR . 62.5 mt-10 -117.54 -51.06 2.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 110.307 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.39 165.69 20.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.979 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 40.7 t -54.44 125.08 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.448 ' O ' ' HA ' ' A' ' 81' ' ' LEU . . . 65.58 13.85 59.31 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.413 ' HB3' HD11 ' A' ' 79' ' ' LEU . 4.7 mt-10 -114.18 120.9 42.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 0.746 . . . . 0.0 110.312 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.434 ' HA ' ' O ' ' A' ' 42' ' ' SER . 13.9 m -130.69 148.57 33.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.764 ' CE2' HD22 ' A' ' 79' ' ' LEU . 1.6 m-85 -114.92 131.48 56.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.868 HG23 HD11 ' A' ' 41' ' ' LEU . 4.6 mt -111.88 118.56 57.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.31 152.7 51.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.688 ' HA ' HD23 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -86.6 137.21 32.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.023 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.58 HG21 ' HG3' ' A' ' 40' ' ' GLN . 44.0 p -100.23 11.02 40.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.372 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.4 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 11.2 tp10 -109.16 -72.47 0.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 27.0 p -70.26 -63.08 1.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.403 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 126.49 41.21 0.33 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.49 1.118 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -127.04 161.0 29.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 0.789 . . . . 0.0 110.301 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 5.5 m-30 -104.48 146.54 28.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.687 ' HB2' HD11 ' A' ' 20' ' ' ILE . 5.8 tp -81.53 114.67 20.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.443 1.089 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -137.22 154.84 50.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.41 ' HE2' ' HB2' ' A' ' 62' ' ' MET . 20.7 tpp -106.12 136.74 45.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 0.0 110.982 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.521 ' OD2' ' CD2' ' A' ' 69' ' ' TYR . 0.5 OUTLIER -92.94 -169.69 2.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 76.7 p -77.46 -27.16 51.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.415 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.442 ' CB ' HD22 ' A' ' 67' ' ' LEU . 11.3 m-20 -69.57 -8.2 45.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 82.91 6.63 88.21 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.502 1.126 . . . . 0.0 111.025 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.442 HD22 ' CB ' ' A' ' 65' ' ' ASP . 0.5 OUTLIER -97.27 161.65 13.71 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 0.761 . . . . 0.0 109.34 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.3 mt -97.62 145.1 26.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.521 ' CD2' ' OD2' ' A' ' 63' ' ' ASP . 4.7 p90 -148.63 167.6 25.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.991 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -87.9 124.95 7.37 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.54 1.15 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.4 p -86.04 135.54 33.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 0.0 110.012 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.39 -26.82 46.64 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.58 1.175 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.4 p -135.41 159.41 71.79 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 110.378 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 108.19 2.66 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.502 1.79 . . . . 0.0 111.029 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -127.19 154.32 44.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -45.05 -29.87 0.96 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 110.304 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -57.41 -34.29 68.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.269 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 58.4 m -73.34 -20.13 60.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 108.279 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.764 HD22 ' CE2' ' A' ' 50' ' ' TYR . 2.3 tp -87.15 120.8 28.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.539 ' C ' HD13 ' A' ' 81' ' ' LEU . 9.2 m-85 -117.27 164.87 14.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.571 HD21 ' HA ' ' A' ' 95' ' ' LYS . 0.3 OUTLIER -103.79 126.03 50.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -108.75 149.95 28.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 110.329 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.04 164.47 34.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 110.298 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.22 105.84 17.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.601 ' OE2' ' CE1' ' A' ' 120' ' ' TYR . 3.9 mm-40 -98.07 161.38 13.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -59.4 -178.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 31.7 m-20 62.64 13.91 6.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.335 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 56.36 57.82 4.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.584 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.764 ' CD1' HD13 ' A' ' 128' ' ' LEU . 3.7 m-85 -137.91 156.42 47.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -112.46 156.02 23.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.496 HG21 ' HG3' ' A' ' 85' ' ' GLU . 76.4 p -129.3 170.58 13.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.395 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.443 ' CD1' ' O ' ' A' ' 91' ' ' THR . 45.0 m-85 -149.41 133.21 16.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.583 HD11 ' CE2' ' A' ' 103' ' ' PHE . 55.5 mt -131.31 147.86 32.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.8 t -71.55 138.51 48.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.047 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.571 ' HA ' HD21 ' A' ' 81' ' ' LEU . 2.3 tttt -73.39 -58.3 3.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -42.21 -28.44 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.263 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.613 ' CE1' ' CZ3' ' A' ' 102' ' ' TRP . 27.5 m-70 -102.42 -89.0 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.113 . . . . 0.0 109.596 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 97' ' ' HIS . . . 67.53 -68.84 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 97' ' ' HIS . 2.2 mt-10 -54.79 -24.58 23.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.565 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 10.9 mttt -77.41 -11.41 59.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 49.13 64.18 1.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.33 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.613 ' CZ3' ' CE1' ' A' ' 97' ' ' HIS . 49.3 m0 -112.64 132.74 55.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 107.993 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.583 ' CE2' HD11 ' A' ' 93' ' ' ILE . 65.0 m-85 -113.84 148.89 35.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.497 ' O ' ' C ' ' A' ' 105' ' ' GLY . 36.2 t -69.93 -24.98 27.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.534 ' HA2' ' CE1' ' A' ' 127' ' ' PHE . . . -30.02 142.55 0.02 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.517 1.135 . . . . 0.0 110.969 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.768 HD21 ' CD1' ' A' ' 18' ' ' LEU . 0.7 OUTLIER -106.77 159.27 16.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 0.76 . . . . 0.0 109.334 179.935 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 111' ' ' SER . 4.6 mtpt -68.38 -171.98 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.65 -9.19 23.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.261 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -90.72 21.68 3.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 63.02 41.28 99.91 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.447 1.092 . . . . 0.0 111.003 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 107' ' ' LYS . 0.7 OUTLIER -138.07 160.86 38.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.774 . . . . 0.0 110.021 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 112' ' ' CYS . . . . . 0.722 ' HA ' HD23 ' A' ' 106' ' ' LEU . 28.0 p -75.64 135.26 40.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 108.245 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.702 ' HD3' HG22 ' A' ' 118' ' ' THR . 6.6 tttt -90.48 112.93 24.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 113' ' ' LYS . 1.8 mpp_? -37.0 138.8 0.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.32 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.504 ' C ' ' H ' ' A' ' 117' ' ' ARG . . . -50.96 -55.93 16.34 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.515 1.134 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.419 ' CD ' ' N ' ' A' ' 115' ' ' GLY . 18.3 Cg_endo -74.96 32.16 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.498 1.789 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.504 ' H ' ' C ' ' A' ' 115' ' ' GLY . 5.7 mmt180 -142.42 22.39 2.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.341 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.702 HG22 ' HD3' ' A' ' 113' ' ' LYS . 6.0 p -118.72 167.2 11.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.368 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.669 ' O ' HD13 ' A' ' 125' ' ' ILE . 3.2 m80 -151.66 169.47 22.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.624 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.601 ' CE1' ' OE2' ' A' ' 85' ' ' GLU . 0.2 OUTLIER -89.84 128.47 36.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 111.041 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 121' ' ' GLY . . . . . 0.571 ' H ' HD11 ' A' ' 125' ' ' ILE . . . 100.26 26.69 8.13 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.485 1.115 . . . . 0.0 110.999 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -112.6 135.74 52.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.765 . . . . 0.0 110.257 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.537 ' HA ' HD12 ' A' ' 126' ' ' LEU . 0.1 OUTLIER -55.29 -19.59 8.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.01 -63.47 1.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.117 . . . . 0.0 109.271 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.669 HD13 ' O ' ' A' ' 119' ' ' HIS . 1.3 pt -57.55 -37.46 58.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.61 HD22 ' HB2' ' A' ' 89' ' ' TYR . 54.2 mt -59.93 102.71 0.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.534 ' CE1' ' HA2' ' A' ' 105' ' ' GLY . 2.4 m-30 -115.22 152.47 32.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 111.024 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.764 HD13 ' CD1' ' A' ' 89' ' ' TYR . 5.4 tp -128.97 121.17 20.66 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' PRO . . . . . 0.444 ' HA ' ' O ' ' A' ' 8' ' ' LEU . 18.4 Cg_endo -74.97 116.87 4.72 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.483 1.78 . . . . 0.0 111.058 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.509 ' CD2' ' O ' ' A' ' 128' ' ' LEU . 3.5 mm? -96.79 141.33 22.92 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 130' ' ' LEU . 18.3 Cg_endo -74.95 126.57 10.09 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.451 1.764 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.475 ' CG2' HD11 ' A' ' 8' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.503 ' O ' HG12 ' A' ' 132' ' ' VAL . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.943 0 N-CA-C 111.036 -0.409 . . . . 0.0 111.036 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.471 ' C ' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -145.76 155.97 43.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.568 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 0.4 OUTLIER -103.38 140.25 37.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.338 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.492 HD12 ' CD2' ' A' ' 127' ' ' PHE . 0.2 OUTLIER -91.55 104.46 16.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -83.59 120.01 25.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.992 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 15' ' ' GLY . 0.5 OUTLIER -106.14 78.76 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 108.305 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.459 ' HB3' ' CG ' ' A' ' 123' ' ' LYS . 4.2 t -38.46 -38.03 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.001 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.427 ' N ' ' HG2' ' A' ' 123' ' ' LYS . 53.3 t30 -40.24 -33.04 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.31 -45.47 0.06 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.55 1.156 . . . . 0.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.449 ' C ' ' ND1' ' A' ' 16' ' ' HIS . . . 103.62 63.38 0.69 Allowed Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.449 ' ND1' ' C ' ' A' ' 15' ' ' GLY . 2.4 m80 -143.77 156.02 44.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 0.754 . . . . 0.0 109.58 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.568 ' CD1' ' HB3' ' A' ' 8' ' ' LEU . 20.8 m-85 -103.85 143.47 32.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 110.962 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.776 ' CD1' HD21 ' A' ' 106' ' ' LEU . 11.2 tp -77.31 125.43 29.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.814 ' HB3' HG22 ' A' ' 37' ' ' ILE . 2.2 ptm180 -129.17 155.28 45.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.305 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.494 HD11 ' HB2' ' A' ' 60' ' ' LEU . 54.6 mt -124.47 113.94 38.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.827 HD12 ' HB ' ' A' ' 25' ' ' THR . 27.0 mt -72.43 156.89 89.92 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -5.06 16.32 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.49 1.784 . . . . 0.0 111.031 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.5 -15.71 26.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.12 44.07 1.95 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.533 1.146 . . . . 0.0 110.961 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.827 ' HB ' HD12 ' A' ' 21' ' ' LEU . 3.8 m -124.76 147.9 48.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.407 0.71 . . . . 0.0 110.39 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.3 t -129.27 118.79 47.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -147.98 161.35 41.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -84.48 147.37 23.15 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.46 1.1 . . . . 0.0 110.974 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.666 ' CG2' HG21 ' A' ' 37' ' ' ILE . 2.9 t -151.66 141.66 22.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 0.739 . . . . 0.0 110.452 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.439 ' HG2' ' CD2' ' A' ' 16' ' ' HIS . 0.6 OUTLIER -127.97 33.92 4.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 33' ' ' SER . 9.3 t0 -93.03 -14.41 27.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.464 ' O ' ' C ' ' A' ' 33' ' ' SER . 8.1 mtm180 65.9 -60.99 0.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.517 ' N ' ' O ' ' A' ' 31' ' ' ASP . 0.1 OUTLIER -34.52 -38.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.002 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.477 ' HB3' HG23 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -44.78 143.84 1.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -106.9 -29.71 9.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.28 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -63.88 -23.16 67.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.578 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.814 HG22 ' HB3' ' A' ' 19' ' ' ARG . 39.7 pt -66.93 -29.53 46.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -67.51 82.98 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.32 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 39.7 mt -96.6 146.95 24.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.35 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.843 ' HG2' HG22 ' A' ' 54' ' ' THR . 0.0 OUTLIER -105.21 114.61 28.91 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.472 1.108 . . . . 0.0 110.257 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.804 HD11 HG23 ' A' ' 51' ' ' ILE . 0.3 OUTLIER -92.21 136.43 33.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.412 ' O ' ' HA ' ' A' ' 49' ' ' VAL . 3.6 m -135.3 161.34 35.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.967 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -117.29 126.92 53.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.454 ' HG2' ' OG ' ' A' ' 45' ' ' SER . 0.3 OUTLIER -107.97 -45.18 4.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.291 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.454 ' OG ' ' HG2' ' A' ' 44' ' ' GLU . 0.9 OUTLIER -128.67 168.16 16.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.01 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.1 t -60.8 123.38 13.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.35 9.14 72.39 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.486 1.116 . . . . 0.0 111.018 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.426 ' HB3' HD11 ' A' ' 79' ' ' LEU . 9.0 mt-10 -114.41 134.77 54.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 0.778 . . . . 0.0 110.275 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.412 ' HA ' ' O ' ' A' ' 42' ' ' SER . 5.7 m -137.18 148.62 26.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.452 ' CD2' HD13 ' A' ' 79' ' ' LEU . 0.9 OUTLIER -117.09 131.61 56.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 110.99 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.804 HG23 HD11 ' A' ' 41' ' ' LEU . 12.5 mt -108.35 120.99 60.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.482 ' HB2' ' CD1' ' A' ' 59' ' ' TYR . 10.2 tttt -136.58 146.5 46.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.0 t -83.39 132.33 34.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.009 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.843 HG22 ' HG2' ' A' ' 40' ' ' GLN . 48.1 p -83.57 -17.76 40.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.382 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -81.78 -76.33 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.417 ' OG1' ' N ' ' A' ' 57' ' ' GLY . 37.5 p -67.22 -63.86 0.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.373 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.417 ' N ' ' OG1' ' A' ' 56' ' ' THR . . . 133.05 -20.98 4.2 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.36 -175.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 0.75 . . . . 0.0 110.329 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.482 ' CD1' ' HB2' ' A' ' 52' ' ' LYS . 97.6 m-85 -131.48 173.12 11.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.994 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.494 ' HB2' HD11 ' A' ' 20' ' ' ILE . 6.6 tp -105.43 113.57 27.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.551 ' HB2' ' SG ' ' A' ' 78' ' ' CYS . . . -137.79 147.67 44.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.4 ' O ' ' NE2' ' A' ' 97' ' ' HIS . 46.3 ttm -106.0 116.7 32.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 110.959 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.31 -165.52 0.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 72.0 p -78.96 -21.75 46.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.373 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.81 -14.84 63.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.64 -15.1 61.17 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.504 1.127 . . . . 0.0 110.99 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.2 mp -85.11 163.7 18.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 0.0 109.261 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.735 HD11 HG13 ' A' ' 104' ' ' VAL . 13.5 mt -98.07 145.6 26.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.348 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.462 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 5.4 p90 -140.35 161.14 38.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -80.29 112.28 3.43 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.559 1.162 . . . . 0.0 111.03 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.45 116.86 28.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 0.769 . . . . 0.0 110.013 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.09 -57.87 8.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 110.336 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.3 p -106.13 157.56 34.55 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.434 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 120.74 6.2 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.502 1.79 . . . . 0.0 111.029 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 78' ' ' CYS . 54.2 p30 -127.27 159.26 34.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 109.341 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -49.29 -23.83 1.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.298 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.442 ' HG2' ' HE1' ' A' ' 97' ' ' HIS . 20.8 mt-10 -71.68 -20.87 61.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.321 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.551 ' SG ' ' HB2' ' A' ' 61' ' ' ALA . 49.8 m -83.61 -14.84 51.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 108.32 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.452 HD13 ' CD2' ' A' ' 50' ' ' TYR . 3.2 tp -83.28 127.66 33.83 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.559 1.162 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -128.93 164.87 22.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.153 . . . . 0.0 111.018 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.713 HD22 ' N ' ' A' ' 81' ' ' LEU . 0.1 OUTLIER -103.62 125.74 50.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.491 ' HG3' ' CE1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -107.55 146.26 32.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.72 161.28 42.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 110.323 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.638 HD13 ' N ' ' A' ' 85' ' ' GLU . 1.3 tm? -92.41 134.44 34.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.943 ' OE2' HG21 ' A' ' 91' ' ' THR . 8.5 mt-10 -127.06 165.46 19.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -60.8 179.91 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.087 . . . . 0.0 110.301 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.554 ' HB3' ' CD2' ' A' ' 89' ' ' TYR . 30.5 m-20 61.2 16.03 6.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 55.76 54.05 8.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.555 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.554 ' CD2' ' HB3' ' A' ' 87' ' ' ASN . 8.7 m-85 -130.79 170.07 14.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.983 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -120.36 170.03 9.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.943 HG21 ' OE2' ' A' ' 85' ' ' GLU . 1.1 p -144.11 141.52 30.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 110.391 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.491 ' CE1' ' HG3' ' A' ' 82' ' ' GLU . 91.0 m-85 -132.27 132.44 43.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.742 HD11 ' CE1' ' A' ' 103' ' ' PHE . 17.4 mt -130.36 143.82 39.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.538 ' O ' ' HB2' ' A' ' 98' ' ' ALA . 0.1 OUTLIER -70.13 137.78 51.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 110.027 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.76 -67.79 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.4 ' HB3' ' CE1' ' A' ' 97' ' ' HIS . 19.4 tttt -52.29 -25.18 8.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.442 ' HE1' ' HG2' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -122.0 44.96 2.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.575 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.538 ' HB2' ' O ' ' A' ' 94' ' ' SER . . . -91.49 -47.22 7.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.345 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -57.46 -26.21 60.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.303 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.512 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 0.0 OUTLIER -78.46 -2.3 37.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.358 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 48.19 65.56 1.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.554 ' CD1' ' HA ' ' A' ' 116' ' ' PRO . 49.2 m0 -111.37 131.77 54.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 107.98 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.742 ' CE1' HD11 ' A' ' 93' ' ' ILE . 97.2 m-85 -110.77 148.84 31.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.735 HG13 HD11 ' A' ' 68' ' ' LEU . 69.1 t -65.01 -92.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.346 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.431 ' N ' HG12 ' A' ' 104' ' ' VAL . . . 52.89 169.79 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.488 1.117 . . . . 0.0 111.018 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.908 HD23 ' HA ' ' A' ' 112' ' ' CYS . 71.1 mt -138.08 159.67 41.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 0.761 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.01 -177.11 6.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.45 -14.91 51.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -86.87 -3.91 59.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.334 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 82.75 42.77 8.1 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.492 1.12 . . . . 0.0 111.04 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -136.96 151.74 49.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 0.766 . . . . 0.0 109.993 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' CYS . . . . . 0.908 ' HA ' HD23 ' A' ' 106' ' ' LEU . 7.4 m -66.3 135.94 55.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 108.291 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 114' ' ' ARG . 0.0 OUTLIER -89.55 130.78 35.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.283 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.449 ' C ' ' O ' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -34.74 128.9 0.45 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 110.333 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.59 ' N ' ' CD ' ' A' ' 116' ' ' PRO . . . -59.36 -45.85 94.8 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.562 1.164 . . . . 0.0 110.987 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' A' ' 115' ' ' GLY . 18.2 Cg_endo -75.01 7.14 3.0 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.552 1.817 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 8.2 mmt180 -125.6 47.07 2.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.296 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.409 HG22 ' CE ' ' A' ' 113' ' ' LYS . 4.1 p -125.32 168.56 13.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.349 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 52.9 m80 -144.74 160.31 41.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.553 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -90.4 133.06 35.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 97.93 11.11 50.88 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.531 1.144 . . . . 0.0 110.973 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -91.68 150.17 21.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 0.768 . . . . 0.0 110.275 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.459 ' CG ' ' HB3' ' A' ' 12' ' ' SER . 1.3 ttpt -74.03 -8.8 57.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.424 1.078 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.51 -62.7 1.58 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.516 HG22 ' CB ' ' A' ' 103' ' ' PHE . 6.5 pt -53.62 -39.49 38.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.437 HD23 HG23 ' A' ' 91' ' ' THR . 92.8 mt -63.12 130.87 46.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 109.333 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.492 ' CD2' HD12 ' A' ' 9' ' ' LEU . 0.5 OUTLIER -132.38 155.44 48.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.986 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.698 HD23 ' HD2' ' A' ' 129' ' ' PRO . 0.4 OUTLIER -131.85 114.06 15.22 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 129' ' ' PRO . . . . . 0.698 ' HD2' HD23 ' A' ' 128' ' ' LEU . 18.2 Cg_endo -75.03 115.69 4.36 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.528 1.804 . . . . 0.0 111.001 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.513 ' CD2' ' O ' ' A' ' 128' ' ' LEU . 3.4 mm? -92.93 141.47 24.23 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 109.287 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 109.74 2.99 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.497 1.788 . . . . 0.0 110.959 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.503 HG12 ' O ' ' A' ' 6' ' ' PRO . 5.1 p . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.877 0 N-CA-C 110.984 -0.429 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.33 158.86 43.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.453 ' O ' ' HA ' ' A' ' 129' ' ' PRO . 4.8 mt -108.07 141.53 39.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.486 HD22 ' N ' ' A' ' 9' ' ' LEU . 2.4 mm? -91.93 113.35 25.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.582 1.176 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.644 ' HB2' HD23 ' A' ' 130' ' ' LEU . 86.7 t80 -98.83 115.82 29.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 111.016 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 13' ' ' ASN . 12.7 t -88.92 88.52 7.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 108.28 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 11' ' ' CYS . 37.5 p -37.67 -31.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.984 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 11' ' ' CYS . 9.2 t-20 -43.95 -55.44 4.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.469 ' CA ' ' HG3' ' A' ' 108' ' ' LYS . . . -120.15 -33.51 1.04 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.504 1.128 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.469 ' HA2' ' CE1' ' A' ' 10' ' ' TYR . . . 93.89 57.23 1.33 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -123.77 164.87 18.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 0.752 . . . . 0.0 109.576 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -107.77 142.21 38.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 111.012 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.678 HD12 HD21 ' A' ' 106' ' ' LEU . 10.9 tp -78.46 112.25 15.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.865 ' HB3' HG22 ' A' ' 37' ' ' ILE . 5.3 ptm180 -115.84 149.74 38.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.312 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.64 HD11 ' HB2' ' A' ' 60' ' ' LEU . 20.8 mt -125.15 117.53 50.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.526 HD12 ' HB ' ' A' ' 25' ' ' THR . 20.1 mt -83.34 156.06 66.17 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -2.34 12.42 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.501 1.79 . . . . 0.0 110.994 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -95.61 2.79 54.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.36 45.12 8.25 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.523 1.14 . . . . 0.0 110.964 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.526 ' HB ' HD12 ' A' ' 21' ' ' LEU . 3.1 m -124.68 147.73 48.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 0.775 . . . . 0.0 110.353 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.1 t -132.35 119.75 40.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -145.79 161.08 40.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.72 136.68 13.0 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.504 1.128 . . . . 0.0 110.977 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.423 ' CG2' HG21 ' A' ' 37' ' ' ILE . 4.4 t -139.42 139.91 37.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 0.745 . . . . 0.0 110.425 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.6 ttt-85 -110.81 47.81 0.96 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.284 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -136.47 99.38 4.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.337 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.8 mtm180 -52.05 -28.54 17.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.31 -48.8 3.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.009 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.79 145.32 41.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' A' ' 38' ' ' GLN . 6.0 mm100 -106.14 -40.19 5.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.264 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.514 ' CD2' ' HG2' ' A' ' 55' ' ' GLU . 41.9 m80 -46.22 -28.8 1.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.604 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.865 HG22 ' HB3' ' A' ' 19' ' ' ARG . 13.9 pt -57.73 -40.6 76.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 35' ' ' GLN . 27.5 mt-30 -46.26 101.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.601 HD23 ' HA ' ' A' ' 53' ' ' SER . 17.4 mt -106.72 147.45 29.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.456 ' HB2' ' CG2' ' A' ' 54' ' ' THR . 0.0 OUTLIER -105.14 115.12 29.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 110.313 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.8 mp -100.53 136.28 40.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.142 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.415 ' O ' ' HA ' ' A' ' 49' ' ' VAL . 36.5 t -141.34 162.94 34.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 110.01 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -118.95 125.96 50.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.405 ' HG2' ' OG ' ' A' ' 45' ' ' SER . 0.4 OUTLIER -110.47 -40.81 4.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 110.3 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.405 ' OG ' ' HG2' ' A' ' 44' ' ' GLU . 0.8 OUTLIER -127.59 166.46 17.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.985 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 74.7 t -64.1 118.91 7.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.69 7.3 87.28 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.121 . . . . 0.0 110.997 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.785 ' HG2' HD23 ' A' ' 81' ' ' LEU . 23.8 mt-10 -115.28 135.36 54.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 0.777 . . . . 0.0 110.311 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.415 ' HA ' ' O ' ' A' ' 42' ' ' SER . 20.7 m -133.19 153.08 36.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -118.77 132.2 56.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 16.8 mt -113.27 122.09 66.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 26.6 ttpt -138.8 145.89 40.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.601 ' HA ' HD23 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -78.7 136.22 37.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.578 1.174 . . . . 0.0 110.025 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.456 ' CG2' ' HB2' ' A' ' 40' ' ' GLN . 61.6 p -91.46 -7.98 49.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 110.388 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.514 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.8 OUTLIER -94.59 -77.47 0.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.289 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 35.1 p -62.75 -61.8 2.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.407 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 118.46 43.05 0.56 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -120.22 162.9 18.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 0.756 . . . . 0.0 110.321 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -108.31 139.07 43.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.64 ' HB2' HD11 ' A' ' 20' ' ' ILE . 5.8 tp -77.37 115.92 17.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.498 ' HB2' ' SG ' ' A' ' 78' ' ' CYS . . . -135.89 154.82 51.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.425 ' HE2' ' HB2' ' A' ' 62' ' ' MET . 29.6 tpp -103.55 136.33 43.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 111.048 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.431 ' OD1' ' N ' ' A' ' 67' ' ' LEU . 0.9 OUTLIER -92.58 173.23 7.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 109.331 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 69.9 p -65.04 -22.22 66.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.359 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.478 ' HB3' HD13 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -74.68 -3.82 33.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.81 5.61 89.39 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.471 1.107 . . . . 0.0 111.03 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.478 HD13 ' HB3' ' A' ' 65' ' ' ASP . 4.0 mp -91.71 168.06 11.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 0.788 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 1.004 HD11 HG13 ' A' ' 104' ' ' VAL . 34.5 mt -108.01 138.61 43.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.554 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 2.9 p90 -148.31 161.02 42.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.989 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -91.01 125.67 8.09 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.434 1.084 . . . . 0.0 111.018 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.6 t -91.76 139.67 30.45 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.46 0.741 . . . . 0.0 109.987 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.7 -37.27 85.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.256 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.9 p -124.55 160.36 53.67 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 110.421 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 105.13 2.02 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.504 1.791 . . . . 0.0 111.024 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -115.16 157.16 24.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.351 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.57 -32.1 5.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.276 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -59.31 -26.37 64.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.324 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.498 ' SG ' ' HB2' ' A' ' 61' ' ' ALA . 51.9 m -80.2 -16.39 54.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 108.298 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.589 HD11 ' HB3' ' A' ' 48' ' ' GLU . 2.4 tp -85.32 120.86 27.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.227 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -118.45 165.23 14.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 111.036 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.785 HD23 ' HG2' ' A' ' 48' ' ' GLU . 5.8 mt -103.66 120.58 41.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -109.31 145.95 35.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.081 . . . . 0.0 110.335 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.09 156.36 32.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 110.317 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.8 tt -92.68 120.12 32.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.488 ' OE1' ' CD2' ' A' ' 126' ' ' LEU . 0.0 OUTLIER -106.15 156.05 18.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.516 ' O ' ' CB ' ' A' ' 87' ' ' ASN . 32.8 mt-10 -65.66 97.44 0.32 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.457 1.098 . . . . 0.0 110.265 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.516 ' CB ' ' O ' ' A' ' 86' ' ' GLU . 3.3 m-80 153.98 41.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.337 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.516 ' C ' ' O ' ' A' ' 87' ' ' ASN . 15.2 t-80 30.6 46.92 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.57 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.461 ' CE1' HD22 ' A' ' 128' ' ' LEU . 3.7 m-85 -145.25 163.44 34.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 111.036 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -123.4 159.25 29.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.2 p -130.41 158.19 40.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.379 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.443 ' HE2' HD12 ' A' ' 9' ' ' LEU . 46.0 m-85 -136.92 133.86 36.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 111.034 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.663 HD11 ' CE1' ' A' ' 103' ' ' PHE . 62.0 mt -135.79 152.38 30.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.03 139.02 46.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.987 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 23.4 tttt -70.23 -58.23 4.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -56.44 -25.48 50.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -123.74 50.93 1.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.605 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -83.63 -38.25 21.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.336 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -74.62 -17.06 60.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.511 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 33.5 mttt -78.52 -6.98 56.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.148 . . . . 0.0 109.261 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 48.56 64.05 1.84 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.511 ' CD1' ' O ' ' A' ' 100' ' ' LYS . 47.1 m0 -112.42 131.8 55.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 108.006 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.663 ' CE1' HD11 ' A' ' 93' ' ' ILE . 98.2 m-85 -114.49 148.75 37.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.959 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 1.004 HG13 HD11 ' A' ' 68' ' ' LEU . 88.9 t -66.83 -79.21 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' A' ' 104' ' ' VAL . . . 53.22 166.17 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.121 . . . . 0.0 111.0 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.81 HD23 ' HA ' ' A' ' 112' ' ' CYS . 42.8 mt -139.29 135.06 33.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 0.772 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.566 ' N ' ' O ' ' A' ' 111' ' ' SER . 0.0 OUTLIER -67.63 149.26 50.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.573 1.171 . . . . 0.0 109.303 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.469 ' HG3' ' CA ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER -65.53 -9.76 29.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -84.97 -3.07 58.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 85.82 39.09 8.28 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.448 1.093 . . . . 0.0 110.969 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.566 ' O ' ' N ' ' A' ' 107' ' ' LYS . 74.4 m -136.04 168.03 20.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 0.763 . . . . 0.0 110.038 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' CYS . . . . . 0.81 ' HA ' HD23 ' A' ' 106' ' ' LEU . 23.0 p -83.03 135.69 34.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 108.256 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.525 ' HD3' HG22 ' A' ' 118' ' ' THR . 0.6 OUTLIER -89.6 124.61 34.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.41 152.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.325 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.484 ' C ' ' H ' ' A' ' 117' ' ' ARG . . . -72.36 -55.7 6.71 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.504 1.128 . . . . 0.0 110.971 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.422 ' CD ' ' N ' ' A' ' 115' ' ' GLY . 18.1 Cg_endo -75.03 36.48 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.521 1.801 . . . . 0.0 111.03 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.484 ' H ' ' C ' ' A' ' 115' ' ' GLY . 2.6 mmt-85 -142.6 18.04 2.01 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.525 HG22 ' HD3' ' A' ' 113' ' ' LYS . 1.7 p -118.54 166.9 12.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 110.392 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -169.53 166.63 10.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.575 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -73.09 133.64 44.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 110.946 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 118.71 -25.79 7.88 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -76.34 149.24 37.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 110.317 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 18.7 tttt -93.01 26.5 2.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -100.86 -47.68 4.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 8.2 pt -58.7 -36.88 62.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.28 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.488 ' CD2' ' OE1' ' A' ' 85' ' ' GLU . 50.3 mt -55.11 127.49 29.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -138.32 146.27 42.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 111.05 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.678 ' O ' HD22 ' A' ' 130' ' ' LEU . 6.1 tp -133.02 114.88 14.0 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' PRO . . . . . 0.453 ' HA ' ' O ' ' A' ' 8' ' ' LEU . 18.4 Cg_endo -74.99 109.49 2.94 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.49 1.784 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.678 HD22 ' O ' ' A' ' 128' ' ' LEU . 2.9 mm? -91.38 132.8 32.75 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 130' ' ' LEU . 18.3 Cg_endo -75.03 104.42 1.9 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.499 1.789 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 8.1 p . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.99 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.0 tpp . . . . . 0 N--CA 1.454 -0.248 0 CA-C-O 120.502 0.191 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -145.36 123.93 12.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -134.3 97.64 3.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 49.07 72.5 0.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.9 mtpp -155.99 87.01 3.06 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 164.47 33.32 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.437 1.756 . . . . 0.0 111.043 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.588 ' HG2' HD13 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -140.22 170.27 16.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.467 ' O ' ' HA ' ' A' ' 129' ' ' PRO . 0.3 OUTLIER -118.03 149.32 41.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.337 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.47 HD11 HD13 ' A' ' 51' ' ' ILE . 24.9 mt -91.66 104.29 16.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.518 ' HB2' HD23 ' A' ' 130' ' ' LEU . 62.1 t80 -86.75 148.13 25.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 111.042 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.468 ' O ' ' C ' ' A' ' 12' ' ' SER . 44.2 t -128.3 78.31 1.83 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 108.301 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.468 ' C ' ' O ' ' A' ' 11' ' ' CYS . 2.5 p -34.44 -37.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.018 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 11' ' ' CYS . 13.2 t30 -40.2 -52.0 2.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.356 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -121.89 -37.02 0.68 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.474 1.109 . . . . 0.0 110.971 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.453 ' C ' ' ND1' ' A' ' 16' ' ' HIS . . . 93.67 77.77 1.38 Allowed Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.453 ' ND1' ' C ' ' A' ' 15' ' ' GLY . 47.9 m80 -154.15 160.86 42.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 0.789 . . . . 0.0 109.63 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.463 ' CE2' HD13 ' A' ' 8' ' ' LEU . 20.3 m-85 -101.81 139.79 36.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 111.015 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.791 ' CD1' HD21 ' A' ' 106' ' ' LEU . 8.6 tp -79.49 120.5 23.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.35 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.881 ' HB3' HG22 ' A' ' 37' ' ' ILE . 5.2 ptm180 -118.28 154.64 31.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 110.293 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.592 ' O ' ' CE1' ' A' ' 36' ' ' HIS . 4.5 mt -124.73 127.32 72.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.498 HD12 ' HB ' ' A' ' 25' ' ' THR . 18.6 mt -94.84 157.41 36.83 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.253 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.408 ' HB3' ' CG2' ' A' ' 56' ' ' THR . 18.4 Cg_endo -74.99 0.28 9.1 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.509 1.794 . . . . 0.0 111.013 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -98.49 5.19 48.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.5 45.61 10.88 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.481 1.113 . . . . 0.0 111.021 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.498 ' HB ' HD12 ' A' ' 21' ' ' LEU . 2.3 m -125.7 147.66 49.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 0.787 . . . . 0.0 110.376 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.2 t -133.94 120.88 37.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.339 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -146.8 162.27 38.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -90.77 159.44 26.84 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.426 ' N ' ' HB3' ' A' ' 16' ' ' HIS . 2.5 t -170.92 137.16 1.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 0.782 . . . . 0.0 110.424 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.0 42.04 1.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.35 94.66 4.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.453 ' HA ' HD11 ' A' ' 37' ' ' ILE . 0.8 OUTLIER -49.81 -31.96 12.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.122 . . . . 0.0 110.242 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.0 t -52.02 -39.6 59.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.029 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.53 ' CG ' HG23 ' A' ' 37' ' ' ILE . 50.7 t0 -43.5 119.92 1.78 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -93.82 73.78 4.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 110.281 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.619 ' NE2' HG23 ' A' ' 56' ' ' THR . 1.1 t-80 -178.79 -40.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.57 1.169 . . . . 0.0 109.568 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.881 HG22 ' HB3' ' A' ' 19' ' ' ARG . 28.3 pt -46.23 -25.86 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.418 ' HG2' HG11 ' A' ' 132' ' ' VAL . 45.0 mt-30 -64.36 100.5 0.36 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 55.0 mt -111.77 147.41 35.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.472 ' HB2' ' CG2' ' A' ' 54' ' ' THR . 0.5 OUTLIER -105.33 114.61 28.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 110.304 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.588 HD13 ' HG2' ' A' ' 7' ' ' LYS . 4.3 mp -92.77 135.64 33.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.249 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.418 ' O ' ' HA ' ' A' ' 49' ' ' VAL . 6.1 m -138.21 155.64 48.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.566 1.166 . . . . 0.0 109.993 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -109.4 125.54 52.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.451 ' HG2' ' OG ' ' A' ' 45' ' ' SER . 0.4 OUTLIER -107.24 -44.68 4.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.312 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.451 ' OG ' ' HG2' ' A' ' 44' ' ' GLU . 0.7 OUTLIER -128.34 167.23 17.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.976 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.7 p -60.02 122.29 9.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.81 21.37 76.57 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.779 ' HB3' HD11 ' A' ' 79' ' ' LEU . 7.8 mt-10 -125.06 137.08 54.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 0.766 . . . . 0.0 110.289 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.499 ' O ' HD12 ' A' ' 79' ' ' LEU . 32.6 m -135.21 151.26 30.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.257 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.516 ' CZ ' ' HB2' ' A' ' 79' ' ' LEU . 0.6 OUTLIER -116.51 132.47 56.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.47 HD13 HD11 ' A' ' 9' ' ' LEU . 11.1 mt -117.71 116.86 53.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.548 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -141.38 152.96 44.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.422 ' OG ' ' CE1' ' A' ' 36' ' ' HIS . 0.1 OUTLIER -84.34 136.89 33.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 110.012 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.472 ' CG2' ' HB2' ' A' ' 40' ' ' GLN . 20.9 p -100.91 11.24 39.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.423 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -103.28 -54.83 2.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.306 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.619 HG23 ' NE2' ' A' ' 36' ' ' HIS . 12.7 p -92.57 -51.45 5.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.384 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 117.48 35.57 1.07 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.451 1.094 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -112.13 156.15 22.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 0.755 . . . . 0.0 110.315 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.548 ' CD1' ' HG2' ' A' ' 52' ' ' LYS . 2.6 m-30 -107.02 139.87 40.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 111.031 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.48 HD11 HD21 ' A' ' 18' ' ' LEU . 5.0 tp -77.48 113.21 15.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.085 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.498 ' HB2' ' SG ' ' A' ' 78' ' ' CYS . . . -136.34 152.1 50.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 42.7 ttm -107.92 115.98 31.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 111.059 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.94 -163.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 69.2 p -84.36 -18.15 37.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.442 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -75.66 -9.23 58.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.436 ' HA3' ' CD ' ' A' ' 116' ' ' PRO . . . 87.93 -14.38 58.88 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.423 ' CD1' ' HG3' ' A' ' 114' ' ' ARG . 2.4 mp -77.76 158.69 29.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 0.779 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.646 HD11 HG13 ' A' ' 104' ' ' VAL . 5.7 mt -95.91 144.68 26.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.565 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 1.9 p90 -154.38 160.91 41.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -87.37 121.75 5.95 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.5 t -86.74 139.47 30.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 0.74 . . . . 0.0 110.057 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -69.83 -33.88 72.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.312 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.6 p -123.96 159.49 56.16 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.433 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 112.02 3.46 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.48 1.779 . . . . 0.0 110.984 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -126.79 152.92 46.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -47.64 -25.82 1.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -63.13 -30.15 71.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.309 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.498 ' SG ' ' HB2' ' A' ' 61' ' ' ALA . 58.2 m -76.32 -23.04 54.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 108.315 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.779 HD11 ' HB3' ' A' ' 48' ' ' GLU . 23.1 tp -87.78 131.42 34.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 0.0 109.257 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.484 ' C ' HD13 ' A' ' 81' ' ' LEU . 10.0 m-85 -126.37 164.64 20.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 111.02 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.883 HD22 ' O ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -104.04 126.39 51.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.253 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.09 140.87 42.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.331 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.58 166.59 24.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 0.0 110.324 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.403 HD22 ' HA ' ' A' ' 84' ' ' LEU . 1.5 tm? -98.49 108.89 21.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -99.75 161.0 13.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 110.3 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 87' ' ' ASN . 2.9 mt-10 -62.75 169.44 3.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.278 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 86' ' ' GLU . 2.1 t30 81.5 -2.94 1.65 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 72.96 54.86 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.576 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.585 ' HB2' HD22 ' A' ' 126' ' ' LEU . 3.9 m-85 -143.56 151.6 40.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 111.028 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -105.31 153.89 21.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.415 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 4.0 p -125.37 169.05 12.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.436 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.415 ' CD1' ' O ' ' A' ' 91' ' ' THR . 37.3 m-85 -146.35 133.11 20.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 111.027 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.883 ' O ' HD22 ' A' ' 81' ' ' LEU . 57.1 mt -131.29 138.77 52.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.0 t -68.5 138.33 55.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.999 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.473 ' HG3' HD11 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -64.86 -74.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.496 ' HB3' ' CD2' ' A' ' 97' ' ' HIS . 0.8 OUTLIER -42.8 -28.48 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.541 ' CD2' ' N ' ' A' ' 97' ' ' HIS . 0.3 OUTLIER -124.37 58.84 1.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 109.605 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.426 ' HA ' ' CG2' ' A' ' 93' ' ' ILE . . . -92.26 -45.01 8.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -66.7 -14.91 63.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.28 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.583 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 11.5 mttt -79.21 -5.55 54.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 49.52 63.94 1.96 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.583 ' CD1' ' O ' ' A' ' 100' ' ' LYS . 49.9 m0 -113.06 132.06 55.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 108.013 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.565 ' CE2' HD11 ' A' ' 93' ' ' ILE . 81.7 m-85 -118.16 148.74 42.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.646 HG13 HD11 ' A' ' 68' ' ' LEU . 43.1 t -88.31 94.69 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.269 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.425 ' HA2' ' CE1' ' A' ' 127' ' ' PHE . . . -132.29 169.39 22.24 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.453 1.096 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.984 HD23 ' HA ' ' A' ' 112' ' ' CYS . 1.2 mt -132.73 159.82 38.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 0.772 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 10.0 mttm -84.73 -171.9 3.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.259 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.69 -16.85 43.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.122 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -88.09 6.19 37.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.458 1.099 . . . . 0.0 109.245 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 73.72 38.22 50.62 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.506 1.129 . . . . 0.0 110.967 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.411 ' O ' ' HA ' ' A' ' 106' ' ' LEU . 6.9 m -116.14 147.43 41.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 0.77 . . . . 0.0 110.0 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' CYS . . . . . 0.984 ' HA ' HD23 ' A' ' 106' ' ' LEU . 25.6 p -66.76 135.16 53.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 108.302 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.496 ' HD3' HG22 ' A' ' 118' ' ' THR . 12.5 tttp -90.3 115.52 27.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.437 ' CB ' ' HG3' ' A' ' 117' ' ' ARG . 2.7 mpp_? -36.97 141.24 0.13 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 0.0 110.266 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.464 ' C ' ' H ' ' A' ' 117' ' ' ARG . . . -57.97 -57.54 19.3 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.495 1.122 . . . . 0.0 110.961 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.436 ' CD ' ' HA3' ' A' ' 66' ' ' GLY . 18.3 Cg_endo -74.97 39.99 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.534 1.807 . . . . 0.0 111.042 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.464 ' H ' ' C ' ' A' ' 115' ' ' GLY . 2.5 mmt-85 -144.02 18.0 1.77 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 110.33 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.496 HG22 ' HD3' ' A' ' 113' ' ' LYS . 1.8 p -114.65 157.7 22.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.406 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.488 ' N ' ' NE2' ' A' ' 122' ' ' GLN . 0.1 OUTLIER -163.48 175.43 10.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.595 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -79.73 136.61 36.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 108.03 -8.45 36.15 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.501 1.126 . . . . 0.0 110.999 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.488 ' NE2' ' N ' ' A' ' 119' ' ' HIS . 60.3 mt-30 -90.43 150.92 21.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 0.75 . . . . 0.0 110.349 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.436 ' HD3' HD12 ' A' ' 126' ' ' LEU . 1.2 tppm? -92.59 11.28 27.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -91.09 -42.13 10.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 2.4 pt -67.0 -40.89 86.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.585 HD22 ' HB2' ' A' ' 89' ' ' TYR . 43.7 mt -61.01 109.86 1.19 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.518 ' CZ ' ' O ' ' A' ' 104' ' ' VAL . 1.3 m-30 -120.27 144.5 47.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 0.0 111.049 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.755 ' O ' HD22 ' A' ' 130' ' ' LEU . 8.8 tp -125.53 111.85 25.6 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' PRO . . . . . 0.467 ' HA ' ' O ' ' A' ' 8' ' ' LEU . 18.2 Cg_endo -75.0 106.97 2.38 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.511 1.796 . . . . 0.0 110.983 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.755 HD22 ' O ' ' A' ' 128' ' ' LEU . 2.3 mm? -89.1 145.51 34.5 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 130' ' ' LEU . 18.2 Cg_endo -75.06 134.9 18.27 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.484 1.781 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.418 HG11 ' HG2' ' A' ' 38' ' ' GLN . 1.4 p -135.27 156.15 38.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 4.2 t 62.66 117.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.969 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 4.2 t -114.91 135.76 53.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.961 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ASP . . . . . 0.404 ' O ' ' O ' ' A' ' 136' ' ' LEU . 0.5 OUTLIER -129.79 109.57 11.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.334 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.404 ' O ' ' O ' ' A' ' 135' ' ' ASP . 2.0 mm? -55.48 -168.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 42.63 83.39 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -117.44 113.15 21.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.618 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 51.8 m80 -117.92 171.79 7.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.597 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -128.73 173.48 10.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.593 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -86.72 135.79 33.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.604 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -101.21 142.65 32.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.583 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 5.0 m80 . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 0.0 109.566 -179.997 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.2 ttp . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.487 0.184 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -151.23 86.6 1.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.437 ' CD1' ' C ' ' A' ' 3' ' ' TYR . 3.0 p90 -42.05 135.81 2.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 111.049 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -173.64 106.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.94 85.53 0.5 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.481 ' O ' HG12 ' A' ' 132' ' ' VAL . 18.5 Cg_endo -74.93 159.74 41.23 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.515 1.797 . . . . 0.0 111.01 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.521 ' C ' HD13 ' A' ' 8' ' ' LEU . 1.2 mppt? -145.18 164.23 31.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.573 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 0.4 OUTLIER -103.44 140.65 37.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 109.263 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.568 HD22 ' N ' ' A' ' 9' ' ' LEU . 2.1 mm? -92.5 104.29 16.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.255 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.506 ' HB2' HD23 ' A' ' 130' ' ' LEU . 34.0 t80 -78.82 148.79 32.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.981 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 13' ' ' ASN . 42.2 t -134.32 76.25 1.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 108.306 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -36.97 -32.93 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.015 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.537 ' ND2' ' HB2' ' A' ' 124' ' ' ALA . 7.5 t30 -44.34 -50.18 9.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -123.61 -36.84 0.62 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 11' ' ' CYS . . . 94.38 72.98 1.19 Allowed Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.457 ' CD2' ' HB2' ' A' ' 30' ' ' ARG . 47.9 m80 -154.4 164.75 38.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.458 0.74 . . . . 0.0 109.612 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.573 ' CD1' ' HB3' ' A' ' 8' ' ' LEU . 20.4 m-85 -107.73 143.21 36.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.919 ' CD1' HD21 ' A' ' 106' ' ' LEU . 14.3 tp -77.16 122.5 25.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.795 ' HB3' HG22 ' A' ' 37' ' ' ILE . 2.1 ptm180 -123.81 154.12 40.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.279 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.532 HD11 ' HB2' ' A' ' 60' ' ' LEU . 60.0 mt -124.48 114.79 42.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.843 HD12 ' HB ' ' A' ' 25' ' ' THR . 23.4 mt -75.3 156.84 85.38 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -2.79 13.0 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.496 1.787 . . . . 0.0 111.012 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -94.03 -15.08 25.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.74 40.32 2.74 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.843 ' HB ' HD12 ' A' ' 21' ' ' LEU . 5.9 m -120.6 147.78 44.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 0.75 . . . . 0.0 110.399 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.3 t -131.55 116.76 32.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -148.23 161.98 40.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.13 157.92 35.72 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.582 ' CG2' HG21 ' A' ' 37' ' ' ILE . 4.8 t -157.68 132.33 8.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 0.735 . . . . 0.0 110.382 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.457 ' HB2' ' CD2' ' A' ' 16' ' ' HIS . 18.2 ttt180 -105.65 48.54 0.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -140.05 98.42 3.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.16 -38.06 49.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 110.254 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.29 -35.92 0.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.995 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.725 ' OD2' HG23 ' A' ' 37' ' ' ILE . 66.3 t0 -57.37 135.65 56.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.574 1.171 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -106.63 -5.22 18.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.331 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 27.8 m80 -89.29 -0.2 57.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.092 . . . . 0.0 109.584 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.795 HG22 ' HB3' ' A' ' 19' ' ' ARG . 14.7 pt -92.74 -22.39 5.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -60.91 89.78 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 110.312 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.555 HD23 ' HA ' ' A' ' 53' ' ' SER . 80.6 mt -98.82 146.14 26.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.357 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.744 ' HG2' HG22 ' A' ' 54' ' ' THR . 0.3 OUTLIER -105.55 114.79 29.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.315 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.2 mp -93.48 136.39 33.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.409 ' O ' ' HA ' ' A' ' 49' ' ' VAL . 1.7 m -137.8 160.12 40.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.999 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -119.92 124.56 46.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.415 ' HG2' ' OG ' ' A' ' 45' ' ' SER . 0.3 OUTLIER -100.64 -47.61 4.79 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 110.308 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.415 ' OG ' ' HG2' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -128.27 166.84 17.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.986 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.433 HG12 ' H ' ' A' ' 46' ' ' VAL . 2.0 p -67.4 104.83 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.91 4.73 48.16 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.488 1.117 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.803 ' OE1' HD21 ' A' ' 79' ' ' LEU . 22.4 mt-10 -119.47 143.29 47.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 0.743 . . . . 0.0 110.267 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.415 ' O ' HD12 ' A' ' 79' ' ' LEU . 12.7 m -139.56 150.77 22.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -118.99 132.32 56.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 11.2 mt -115.62 118.23 58.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.473 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -135.33 153.17 51.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.346 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.555 ' HA ' HD23 ' A' ' 39' ' ' LEU . 33.5 m -84.27 133.02 34.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.744 HG22 ' HG2' ' A' ' 40' ' ' GLN . 69.8 p -84.94 -27.53 26.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.406 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -76.65 -79.25 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.329 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 76.4 p -63.14 -53.32 55.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.393 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 120.41 -19.43 9.21 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.16 162.51 0.68 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 0.784 . . . . 0.0 110.266 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.473 ' CD1' ' HG2' ' A' ' 52' ' ' LYS . 10.1 m-30 -113.84 141.19 47.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.719 HD11 HD21 ' A' ' 18' ' ' LEU . 6.6 tp -76.91 113.02 14.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -140.09 148.21 41.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 42.5 ttm -106.81 117.16 33.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.955 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -69.93 -159.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 10.1 p -86.24 -28.24 23.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.412 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.578 ' CB ' HD12 ' A' ' 67' ' ' LEU . 48.1 m-20 -62.53 -12.56 23.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.42 ' HA3' ' CD ' ' A' ' 116' ' ' PRO . . . 86.38 8.07 78.43 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.48 1.113 . . . . 0.0 110.975 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.578 HD12 ' CB ' ' A' ' 65' ' ' ASP . 4.3 mp -96.94 171.49 8.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 0.74 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.76 HD11 HG13 ' A' ' 104' ' ' VAL . 36.4 mt -110.18 137.83 47.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.243 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.53 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 4.0 p90 -147.57 166.32 27.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 111.003 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -92.29 122.11 6.72 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.447 1.092 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.0 t -88.02 139.83 30.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 0.744 . . . . 0.0 110.039 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -71.57 -33.72 69.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.339 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.6 p -125.23 160.53 54.53 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 110.373 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 112.57 3.59 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.452 1.764 . . . . 0.0 110.95 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.405 ' O ' ' N ' ' A' ' 78' ' ' CYS . 5.0 m-20 -126.33 154.66 43.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -45.99 -26.66 0.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -61.61 -33.67 74.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.405 ' N ' ' O ' ' A' ' 75' ' ' ASN . 57.0 m -72.88 -16.67 61.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 108.291 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.803 HD21 ' OE1' ' A' ' 48' ' ' GLU . 8.8 tp -88.24 130.06 35.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.373 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.411 ' HA ' ' O ' ' A' ' 93' ' ' ILE . 19.1 m-85 -129.55 164.92 22.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.63 HD21 ' HA ' ' A' ' 95' ' ' LYS . 0.4 OUTLIER -103.67 127.15 51.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -109.25 145.76 35.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.269 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -150.9 166.33 30.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.307 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.402 HD13 ' C ' ' A' ' 84' ' ' LEU . 1.8 tm? -94.75 116.21 28.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.503 ' OE1' ' CD2' ' A' ' 126' ' ' LEU . 3.7 mt-10 -104.99 161.54 14.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 110.271 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -59.96 -179.83 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 38.2 m-20 60.05 16.84 6.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 56.13 66.16 1.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.612 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.457 ' CG ' ' HB3' ' A' ' 126' ' ' LEU . 13.4 m-85 -143.42 168.23 20.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.952 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -119.73 155.97 31.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.481 ' CG2' ' HG3' ' A' ' 85' ' ' GLU . 1.0 OUTLIER -125.9 162.21 25.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.403 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -145.72 132.72 20.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.164 . . . . 0.0 111.002 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 1.017 HD11 ' CE2' ' A' ' 103' ' ' PHE . 24.8 mt -136.28 138.25 47.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.6 t -58.4 138.28 56.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.983 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.63 ' HA ' HD21 ' A' ' 81' ' ' LEU . 2.2 tttt -78.05 -50.86 11.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.06 -25.31 0.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.547 ' CE1' ' CZ3' ' A' ' 102' ' ' TRP . 30.5 m-70 -105.38 -90.88 0.4 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.596 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 97' ' ' HIS . . . 69.06 -63.24 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 97' ' ' HIS . 6.9 mt-10 -58.42 -17.02 17.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.138 . . . . 0.0 110.315 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.588 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 14.6 mttt -88.97 -7.77 55.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 45.8 64.4 1.47 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.588 ' CD1' ' O ' ' A' ' 100' ' ' LYS . 52.0 m0 -112.14 131.05 55.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 107.973 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 1.017 ' CE2' HD11 ' A' ' 93' ' ' ILE . 84.6 m-85 -112.65 146.89 37.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.76 HG13 HD11 ' A' ' 68' ' ' LEU . 73.6 t -61.29 -90.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.561 ' HA2' ' CE1' ' A' ' 127' ' ' PHE . . . 54.57 168.17 0.04 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.447 1.092 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.984 HD23 ' HA ' ' A' ' 112' ' ' CYS . 13.0 mt -137.6 129.36 28.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 0.765 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 111' ' ' SER . 2.6 mtmp? -52.11 -176.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -88.09 -8.1 55.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -89.34 8.97 27.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 74.51 20.1 79.67 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 107' ' ' LYS . 63.0 m -114.07 166.91 11.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.443 0.731 . . . . 0.0 110.006 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' CYS . . . . . 0.984 ' HA ' HD23 ' A' ' 106' ' ' LEU . 13.6 p -74.17 136.43 42.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 108.342 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 114' ' ' ARG . 0.6 OUTLIER -89.27 123.97 33.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.123 . . . . 0.0 109.306 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.442 ' CB ' ' HG3' ' A' ' 117' ' ' ARG . 0.9 OUTLIER -37.37 146.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.312 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.472 ' C ' ' H ' ' A' ' 117' ' ' ARG . . . -66.56 -55.91 15.65 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.488 1.118 . . . . 0.0 110.976 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.42 ' CD ' ' HA3' ' A' ' 66' ' ' GLY . 18.3 Cg_endo -75.03 39.02 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.508 1.794 . . . . 0.0 110.991 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.472 ' H ' ' C ' ' A' ' 115' ' ' GLY . 7.2 mmt180 -142.93 17.64 1.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.28 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.509 HG21 ' HB2' ' A' ' 103' ' ' PHE . 1.3 p -114.73 164.44 14.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.419 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -171.67 166.62 6.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.589 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -73.58 127.54 33.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 122.93 -19.78 7.76 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.439 1.087 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -79.83 148.61 31.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 0.754 . . . . 0.0 110.263 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 4.7 ttmm -90.38 18.65 5.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.537 ' HB2' ' ND2' ' A' ' 13' ' ' ASN . . . -94.96 -51.06 4.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.4 pt -55.09 -28.42 20.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.503 ' CD2' ' OE1' ' A' ' 85' ' ' GLU . 21.4 mt -64.98 105.38 1.02 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 109.347 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.561 ' CE1' ' HA2' ' A' ' 105' ' ' GLY . 0.6 OUTLIER -121.09 135.77 55.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.583 1.177 . . . . 0.0 110.983 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.684 HD23 ' HD2' ' A' ' 129' ' ' PRO . 0.7 OUTLIER -119.84 113.78 34.34 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 129' ' ' PRO . . . . . 0.684 ' HD2' HD23 ' A' ' 128' ' ' LEU . 18.3 Cg_endo -75.06 112.51 3.58 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.537 1.809 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.541 HD22 ' O ' ' A' ' 128' ' ' LEU . 3.8 mm? -92.72 140.79 23.85 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 130' ' ' LEU . 18.1 Cg_endo -75.01 140.11 25.03 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.498 1.789 . . . . 0.0 110.942 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.481 HG12 ' O ' ' A' ' 6' ' ' PRO . 5.2 p -143.58 149.84 17.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.564 1.165 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 10.4 t 62.17 138.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.994 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 9.4 m -59.25 165.18 2.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.107 . . . . 0.0 109.99 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -74.19 -42.21 60.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.413 ' O ' ' CB ' ' A' ' 137' ' ' GLU . 0.0 OUTLIER 46.92 -170.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.413 ' CB ' ' O ' ' A' ' 136' ' ' LEU . 0.0 OUTLIER 79.53 131.13 0.05 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -114.72 102.0 9.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.627 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.54 154.85 2.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.602 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 5.5 p-80 -143.61 -53.3 0.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.614 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 71.32 -68.04 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.59 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 67.63 176.5 0.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.623 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 15.9 p-80 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.61 -179.982 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.0 mtt . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.498 0.19 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 57.49 169.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -146.29 37.4 1.03 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -123.56 -76.03 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 64.48 158.35 0.12 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 109.339 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 161.46 38.72 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.476 1.777 . . . . 0.0 111.016 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.48 ' HG2' HD22 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -142.49 172.35 12.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.554 HD22 HD12 ' A' ' 37' ' ' ILE . 0.3 OUTLIER -115.09 146.12 41.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -91.76 104.97 17.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.411 ' HB3' ' CB ' ' A' ' 128' ' ' LEU . 44.8 t80 -84.79 113.75 21.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 111.046 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.456 ' O ' ' N ' ' A' ' 15' ' ' GLY . 41.3 t -88.65 76.12 8.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 108.3 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 11' ' ' CYS . 15.3 p -35.6 -35.03 0.05 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.557 1.16 . . . . 0.0 109.977 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 11' ' ' CYS . 13.3 t-20 -42.48 -52.82 4.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -120.69 -36.18 0.8 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.47 1.106 . . . . 0.0 111.046 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 11' ' ' CYS . . . 97.33 74.03 1.17 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.422 ' ND1' ' C ' ' A' ' 15' ' ' GLY . 42.7 m80 -151.11 161.7 42.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 0.763 . . . . 0.0 109.6 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.417 ' HE1' HD12 ' A' ' 130' ' ' LEU . 24.5 m-85 -105.51 142.69 34.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.785 ' CD1' HD21 ' A' ' 106' ' ' LEU . 8.6 tp -77.99 126.07 30.28 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.883 ' HB3' HG22 ' A' ' 37' ' ' ILE . 3.1 ptm180 -126.59 153.1 45.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.541 HD11 ' HB2' ' A' ' 60' ' ' LEU . 74.2 mt -124.75 118.7 54.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.793 HD12 ' HB ' ' A' ' 25' ' ' THR . 22.8 mt -80.79 157.01 72.35 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.576 1.172 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 -4.18 15.01 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.496 1.787 . . . . 0.0 110.97 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -91.17 -18.2 24.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 104.26 40.89 2.16 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.536 1.147 . . . . 0.0 111.037 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.793 ' HB ' HD12 ' A' ' 21' ' ' LEU . 5.2 m -119.93 147.24 44.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 0.749 . . . . 0.0 110.434 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.7 t -132.2 118.01 34.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.335 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -148.09 162.64 38.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.348 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -90.48 148.1 19.42 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 110.973 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 t -154.25 137.14 15.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 110.398 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.5 ttt-85 -109.44 53.94 0.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.268 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -136.66 86.39 2.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.153 . . . . 0.0 109.26 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.16 -32.85 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.8 t -41.52 -51.45 3.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 109.992 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.01 149.45 1.89 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -115.26 -13.01 11.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.281 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.565 ' CE1' ' HG2' ' A' ' 55' ' ' GLU . 34.3 m80 -76.77 -13.65 60.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.613 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.883 HG22 ' HB3' ' A' ' 19' ' ' ARG . 39.4 pt -76.64 -29.84 18.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -55.98 89.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.631 HD23 ' HA ' ' A' ' 53' ' ' SER . 32.0 mt -97.29 144.5 27.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.47 ' HB2' ' CG2' ' A' ' 54' ' ' THR . 0.0 OUTLIER -105.79 114.27 28.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.127 . . . . 0.0 110.313 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.857 HD11 HG23 ' A' ' 51' ' ' ILE . 0.3 OUTLIER -93.28 135.26 34.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.289 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.421 ' O ' ' HA ' ' A' ' 49' ' ' VAL . 0.3 OUTLIER -135.31 160.96 36.75 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 0.0 109.994 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -123.19 129.3 51.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.535 ' HG3' ' CD2' ' A' ' 50' ' ' TYR . 1.6 mt-10 -113.39 -52.01 2.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 110.3 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.76 163.24 21.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 109.989 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.6 p -61.89 115.65 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.36 18.65 61.99 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.554 1.158 . . . . 0.0 111.032 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.581 ' HB3' HD11 ' A' ' 79' ' ' LEU . 14.1 mt-10 -128.68 130.73 47.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 0.772 . . . . 0.0 110.301 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.421 ' HA ' ' O ' ' A' ' 42' ' ' SER . 25.0 m -136.05 150.06 27.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.535 ' CD2' ' HG3' ' A' ' 44' ' ' GLU . 1.0 OUTLIER -118.77 134.05 55.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 111.04 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.857 HG23 HD11 ' A' ' 41' ' ' LEU . 3.6 mt -114.5 107.38 22.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.429 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 6.7 mttt -119.13 152.2 36.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.631 ' HA ' HD23 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -88.12 130.06 35.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.027 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.47 ' CG2' ' HB2' ' A' ' 40' ' ' GLN . 82.8 p -90.99 11.81 21.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.408 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.565 ' HG2' ' CE1' ' A' ' 36' ' ' HIS . 43.7 tp10 -104.7 -61.17 1.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.343 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.439 ' OG1' ' N ' ' A' ' 57' ' ' GLY . 32.0 p -91.74 -64.36 1.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 110.392 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.439 ' N ' ' OG1' ' A' ' 56' ' ' THR . . . 125.74 42.23 0.32 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.447 1.092 . . . . 0.0 111.015 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -116.46 136.29 53.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 0.782 . . . . 0.0 110.242 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.429 ' CD1' ' HG2' ' A' ' 52' ' ' LYS . 58.1 m-85 -77.0 136.36 38.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.551 ' CD2' HD12 ' A' ' 51' ' ' ILE . 2.8 tp -77.76 112.87 15.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.259 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.475 ' HB2' ' SG ' ' A' ' 78' ' ' CYS . . . -137.92 154.25 49.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.488 ' HE2' ' HB2' ' A' ' 62' ' ' MET . 6.2 tpp -103.47 145.89 29.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.979 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.426 ' N ' ' HG3' ' A' ' 62' ' ' MET . 0.5 OUTLIER -97.42 163.1 13.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.413 ' H ' HG23 ' A' ' 64' ' ' THR . 61.8 p -50.64 -33.11 21.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.369 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.418 ' HB3' ' CD2' ' A' ' 67' ' ' LEU . 6.7 m-20 -60.89 -19.0 59.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.422 ' HA3' ' CD ' ' A' ' 116' ' ' PRO . . . 93.37 13.87 54.9 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.477 1.111 . . . . 0.0 110.964 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.418 ' CD2' ' HB3' ' A' ' 65' ' ' ASP . 0.6 OUTLIER -105.0 161.54 14.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 0.773 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.909 HD11 HG13 ' A' ' 104' ' ' VAL . 7.6 mt -97.44 142.44 29.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.512 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 4.0 p90 -147.81 155.4 41.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 111.031 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -76.81 111.5 3.29 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.87 127.17 34.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 0.782 . . . . 0.0 109.986 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -61.01 -54.49 44.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.2 p -104.56 156.46 35.85 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 110.414 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 116.48 4.59 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.471 1.774 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -125.63 156.37 39.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -48.31 -25.71 1.69 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.48 1.113 . . . . 0.0 110.301 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -64.76 -27.6 69.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.455 1.097 . . . . 0.0 110.321 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.475 ' SG ' ' HB2' ' A' ' 61' ' ' ALA . 48.0 m -77.46 -16.98 58.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 108.291 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.581 HD11 ' HB3' ' A' ' 48' ' ' GLU . 3.2 tp -87.93 117.2 26.62 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -116.45 165.17 13.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.963 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.67 HD21 ' HD3' ' A' ' 95' ' ' LYS . 4.5 mt -103.46 129.99 50.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.42 ' OE2' ' N ' ' A' ' 83' ' ' ARG . 2.7 tm-20 -108.62 150.12 27.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.42 ' N ' ' OE2' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -157.86 152.76 25.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.092 . . . . 0.0 110.342 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.492 HD22 ' N ' ' A' ' 85' ' ' GLU . 2.5 tm? -95.76 128.88 43.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.492 ' N ' HD22 ' A' ' 84' ' ' LEU . 12.6 mm-40 -98.33 159.11 15.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.316 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -72.42 88.16 1.19 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 173.68 -89.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 177.05 38.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.588 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.892 ' CE1' HD12 ' A' ' 128' ' ' LEU . 74.2 m-85 -139.52 171.96 13.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 111.017 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -125.97 156.69 39.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.463 ' CG2' HG13 ' A' ' 125' ' ' ILE . 1.2 p -126.92 144.26 51.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.374 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -126.6 132.56 51.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 1.046 HD11 ' CE2' ' A' ' 103' ' ' PHE . 43.5 mt -135.52 145.2 32.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 98' ' ' ALA . 1.6 t -71.59 138.81 49.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 110.01 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.67 ' HD3' HD21 ' A' ' 81' ' ' LEU . 18.4 tptm -73.98 -50.16 21.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.577 ' HB3' ' CD2' ' A' ' 97' ' ' HIS . 2.8 tttt -58.76 -17.13 20.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.247 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.577 ' CD2' ' HB3' ' A' ' 96' ' ' LYS . 0.1 OUTLIER -129.66 23.44 5.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.608 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.528 ' HB2' ' HA ' ' A' ' 95' ' ' LYS . . . -54.66 -52.67 61.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.31 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -60.89 -24.73 66.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 110.319 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.475 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 2.3 mtpt -73.5 -12.48 60.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 49.87 65.03 1.54 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.475 ' CD1' ' O ' ' A' ' 100' ' ' LYS . 48.0 m0 -111.61 131.16 55.46 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 1.046 ' CE2' HD11 ' A' ' 93' ' ' ILE . 89.3 m-85 -113.14 149.2 33.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.996 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.909 HG13 HD11 ' A' ' 68' ' ' LEU . 74.4 t -70.64 -89.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 104' ' ' VAL . . . 51.1 173.59 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.905 HD23 ' HA ' ' A' ' 112' ' ' CYS . 19.4 mt -138.16 131.45 30.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 0.748 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 111' ' ' SER . 5.7 mtpt -55.61 -167.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -90.18 -13.06 36.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -86.78 7.16 28.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 72.62 29.05 66.22 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.481 1.113 . . . . 0.0 111.054 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.466 ' O ' ' N ' ' A' ' 107' ' ' LYS . 0.4 OUTLIER -121.69 160.86 23.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 0.762 . . . . 0.0 109.981 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 112' ' ' CYS . . . . . 0.905 ' HA ' HD23 ' A' ' 106' ' ' LEU . 18.8 p -66.87 136.02 54.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 108.32 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.503 ' HD3' HG22 ' A' ' 118' ' ' THR . 4.0 tttp -89.5 125.62 35.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -37.75 139.68 0.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.339 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.495 ' C ' ' H ' ' A' ' 117' ' ' ARG . . . -64.25 -55.85 21.29 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.422 ' CD ' ' HA3' ' A' ' 66' ' ' GLY . 18.2 Cg_endo -75.01 32.75 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.539 1.81 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.495 ' H ' ' C ' ' A' ' 115' ' ' GLY . 6.2 mmt180 -141.84 21.94 2.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.333 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.503 HG22 ' HD3' ' A' ' 113' ' ' LYS . 1.5 p -119.82 159.27 24.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.449 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -164.62 166.8 19.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 109.596 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -71.46 132.59 44.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.972 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 120.99 -23.4 7.76 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.521 1.138 . . . . 0.0 110.967 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -76.12 149.09 37.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 0.755 . . . . 0.0 110.28 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.3 ttmm -91.86 26.46 2.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.25 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -102.02 -59.03 1.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.463 HG13 ' CG2' ' A' ' 91' ' ' THR . 4.6 pt -46.4 -37.52 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 29.9 mt -62.01 114.06 3.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -119.99 140.38 51.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.892 HD12 ' CE1' ' A' ' 89' ' ' TYR . 0.4 OUTLIER -113.37 108.01 52.88 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 129' ' ' PRO . . . . . 0.449 ' HA ' ' O ' ' A' ' 8' ' ' LEU . 18.6 Cg_endo -74.99 107.07 2.4 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.462 1.77 . . . . 0.0 111.037 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.417 HD12 ' HE1' ' A' ' 17' ' ' PHE . 64.4 mt -98.79 146.58 31.88 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.523 1.14 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 146.14 32.33 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.525 1.803 . . . . 0.0 110.963 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.475 ' CG2' HD11 ' A' ' 8' ' ' LEU . 0.5 OUTLIER -147.38 164.96 6.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 12.4 t 62.65 149.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.148 . . . . 0.0 110.028 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 21.1 p -134.89 143.77 47.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.986 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 136' ' ' LEU . 0.4 OUTLIER 54.38 101.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 135' ' ' ASP . 0.0 OUTLIER -41.55 161.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 109.258 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 173.24 -60.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.102 . . . . 0.0 110.313 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 59.27 172.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.616 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -95.14 130.25 41.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.466 1.104 . . . . 0.0 109.59 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 63.76 165.9 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.597 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -147.26 176.61 9.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.578 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 54.2 t60 -126.91 153.27 45.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.569 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.585 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.533 0.206 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 26.3 m-20 -154.52 97.11 1.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -135.83 162.3 33.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 110.952 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.2 mttt 60.34 -166.87 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.341 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.417 ' N ' ' HD3' ' A' ' 6' ' ' PRO . 19.4 tttt -138.59 64.46 37.1 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.417 ' HD3' ' N ' ' A' ' 5' ' ' LYS . 18.3 Cg_endo -75.02 158.67 41.98 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.522 1.801 . . . . 0.0 110.951 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.34 167.8 21.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.157 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.527 HD11 ' HB ' ' A' ' 132' ' ' VAL . 2.0 mt -122.74 141.0 52.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -92.68 104.48 16.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -82.21 139.07 34.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.457 ' O ' ' N ' ' A' ' 15' ' ' GLY . 51.4 t -119.12 77.62 1.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 108.305 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 13' ' ' ASN . 41.1 t -37.9 -36.7 0.21 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.978 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 12' ' ' SER . 10.8 t30 -38.37 -65.67 0.33 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.147 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.554 ' O ' ' CE1' ' A' ' 16' ' ' HIS . . . -127.0 25.19 5.29 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.521 1.138 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 11' ' ' CYS . . . 42.46 71.13 0.41 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.059 -0.817 . . . . 0.0 111.059 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.554 ' CE1' ' O ' ' A' ' 14' ' ' GLY . 56.8 m80 -134.76 163.67 29.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 0.778 . . . . 0.0 109.563 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.489 ' HE1' HD12 ' A' ' 130' ' ' LEU . 22.0 m-85 -117.21 140.89 48.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.546 1.154 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.641 ' CD1' HD21 ' A' ' 106' ' ' LEU . 13.1 tp -79.26 112.56 16.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.93 ' HB3' HG22 ' A' ' 37' ' ' ILE . 2.6 ptm180 -116.4 150.28 38.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 110.288 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.829 HD11 ' HB2' ' A' ' 60' ' ' LEU . 59.8 mt -124.12 109.83 23.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.704 HD21 ' NE ' ' A' ' 19' ' ' ARG . 24.3 mt -76.7 157.34 82.17 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 0.18 9.21 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.488 1.783 . . . . 0.0 111.023 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -100.77 10.5 41.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.88 46.83 27.85 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.556 1.16 . . . . 0.0 111.016 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.5 m -126.68 143.86 51.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 0.732 . . . . 0.0 110.428 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.3 t -135.35 119.5 26.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.273 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -148.17 162.58 39.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -84.03 135.05 13.29 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.418 1.074 . . . . 0.0 110.993 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.472 ' CG2' HG21 ' A' ' 37' ' ' ILE . 1.2 t -136.98 136.56 38.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 0.745 . . . . 0.0 110.438 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -110.64 55.82 0.64 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.289 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -146.33 85.15 1.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 33' ' ' SER . 1.4 mpp_? -39.83 -37.99 0.62 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.348 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 32' ' ' ARG . 0.2 OUTLIER -39.15 -41.85 0.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.0 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.417 ' OD2' HG23 ' A' ' 37' ' ' ILE . 1.2 t0 -44.99 120.81 2.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -94.23 28.39 2.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.303 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 45.0 m80 -122.28 -41.95 2.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.647 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.93 HG22 ' HB3' ' A' ' 19' ' ' ARG . 44.3 pt -48.19 -26.89 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -52.99 89.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.333 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.747 HD23 ' HA ' ' A' ' 53' ' ' SER . 61.0 mt -101.72 143.34 31.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.833 ' HG2' HG22 ' A' ' 54' ' ' THR . 1.1 pt20 -105.31 114.8 29.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.36 136.23 33.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.9 m -139.87 160.46 39.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.986 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -122.27 125.02 45.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -110.11 -42.0 4.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.237 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.52 163.62 23.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.044 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 11.9 p -62.59 125.86 19.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.155 . . . . 0.0 109.254 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.404 ' O ' ' HA ' ' A' ' 81' ' ' LEU . . . 73.51 4.56 65.46 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.478 1.111 . . . . 0.0 111.031 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.778 ' HG2' HD23 ' A' ' 81' ' ' LEU . 28.4 mt-10 -115.56 140.49 49.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.78 . . . . 0.0 110.303 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.434 ' O ' HD12 ' A' ' 79' ' ' LEU . 25.5 m -137.01 161.33 35.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.428 1.08 . . . . 0.0 109.345 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.441 ' CE2' HD22 ' A' ' 79' ' ' LEU . 3.6 m-85 -127.67 137.21 52.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 5.7 mt -122.95 123.44 68.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.251 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.564 ' HD3' ' CE1' ' A' ' 59' ' ' TYR . 25.7 ttpt -140.98 150.91 43.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.747 ' HA ' HD23 ' A' ' 39' ' ' LEU . 0.6 OUTLIER -79.19 129.35 34.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 110.04 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.833 HG22 ' HG2' ' A' ' 40' ' ' GLN . 40.1 p -83.6 -1.57 54.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.138 . . . . 0.0 110.42 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -99.15 -58.93 1.82 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.292 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 39.9 p -82.46 -52.12 7.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 110.424 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 105.24 46.06 1.28 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.491 1.119 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -127.8 136.62 51.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 0.799 . . . . 0.0 110.313 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.564 ' CE1' ' HD3' ' A' ' 52' ' ' LYS . 21.3 m-85 -80.61 141.13 35.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.829 ' HB2' HD11 ' A' ' 20' ' ' ILE . 4.2 tp -77.19 115.87 17.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.675 ' HB2' ' SG ' ' A' ' 78' ' ' CYS . . . -132.45 153.56 50.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.458 ' HE2' ' HB2' ' A' ' 62' ' ' MET . 14.4 tpp -106.44 135.98 47.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 110.993 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.517 ' CG ' ' CE2' ' A' ' 69' ' ' TYR . 1.0 OUTLIER -90.51 -171.83 3.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 0.0 109.274 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.9 p -80.59 -28.32 37.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.37 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.424 ' CB ' HD22 ' A' ' 67' ' ' LEU . 5.2 m-20 -67.44 -9.65 43.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.54 -2.24 84.58 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.539 1.15 . . . . 0.0 111.002 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.424 HD22 ' CB ' ' A' ' 65' ' ' ASP . 0.6 OUTLIER -85.94 155.72 20.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 0.0 109.315 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 14.9 mt -96.3 140.43 30.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.555 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 2.8 p90 -148.37 150.84 34.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -88.68 127.64 8.72 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.509 1.131 . . . . 0.0 110.946 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.7 t -93.7 139.61 30.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 0.741 . . . . 0.0 110.017 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -63.63 -37.32 86.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.305 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.3 p -119.83 158.92 48.62 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.355 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 112.28 3.52 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.458 1.767 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -125.64 157.16 37.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.252 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -49.45 -32.71 12.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -61.1 -17.29 51.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.283 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.675 ' SG ' ' HB2' ' A' ' 61' ' ' ALA . 7.3 m -95.26 -18.86 20.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 108.312 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.61 HD11 ' HB3' ' A' ' 48' ' ' GLU . 2.5 tp -83.02 119.55 24.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -117.01 165.35 13.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.778 HD23 ' HG2' ' A' ' 48' ' ' GLU . 5.9 mt -103.37 125.1 49.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -109.21 149.13 29.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.24 147.31 20.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.8 tt -92.3 108.05 19.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 109.343 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.466 ' OE2' HG21 ' A' ' 91' ' ' THR . 0.5 OUTLIER -105.53 165.37 11.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.312 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -52.99 176.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.275 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 73.88 4.55 4.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 54.45 62.42 2.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.611 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.602 ' HD1' HD13 ' A' ' 128' ' ' LEU . 0.8 OUTLIER -144.69 158.77 43.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 111.031 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -111.79 148.08 34.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.549 HG22 ' O ' ' A' ' 125' ' ' ILE . 22.5 p -131.07 159.68 36.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.423 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -141.52 134.06 28.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 111.058 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.677 HD11 ' CE2' ' A' ' 103' ' ' PHE . 51.3 mt -135.49 143.29 37.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.286 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.97 138.37 57.21 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.47 1.107 . . . . 0.0 110.004 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 25.6 tttt -69.4 -58.36 4.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 24.1 tttt -57.36 -24.52 55.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -121.93 44.73 2.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.614 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -78.06 -44.4 26.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 109.335 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -68.62 -21.01 64.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.322 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.543 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 3.1 mtpt -74.7 -11.65 60.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 51.3 63.74 2.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.543 ' CD1' ' O ' ' A' ' 100' ' ' LYS . 46.7 m0 -113.3 131.98 55.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 107.99 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.677 ' CE2' HD11 ' A' ' 93' ' ' ILE . 88.4 m-85 -112.78 148.77 34.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.498 ' O ' ' C ' ' A' ' 105' ' ' GLY . 40.6 t -72.63 -25.95 23.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.583 ' HA2' ' CE1' ' A' ' 127' ' ' PHE . . . -29.87 143.73 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.487 1.117 . . . . 0.0 111.02 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.641 HD21 ' CD1' ' A' ' 18' ' ' LEU . 0.9 OUTLIER -106.84 149.95 26.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.778 . . . . 0.0 109.287 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 111' ' ' SER . 1.1 mtpt -55.17 -171.18 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.84 -9.39 18.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.093 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -92.87 25.21 3.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 64.0 39.78 97.59 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.512 1.132 . . . . 0.0 111.053 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.49 ' O ' ' N ' ' A' ' 107' ' ' LYS . 49.3 m -135.52 166.08 24.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 0.758 . . . . 0.0 110.011 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' CYS . . . . . 0.568 ' HA ' HD23 ' A' ' 106' ' ' LEU . 19.4 p -82.22 135.65 35.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 108.302 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.628 ' HD3' HG22 ' A' ' 118' ' ' THR . 7.5 tttt -90.22 107.53 19.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -36.78 142.49 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 110.278 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.469 ' C ' ' H ' ' A' ' 117' ' ' ARG . . . -50.07 -59.99 7.03 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.471 1.107 . . . . 0.0 111.034 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.405 ' O ' ' HG2' ' A' ' 117' ' ' ARG . 18.2 Cg_endo -75.0 38.05 0.51 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.506 1.792 . . . . 0.0 111.004 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.469 ' H ' ' C ' ' A' ' 115' ' ' GLY . 2.7 mtt-85 -144.39 17.0 1.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.274 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.628 HG22 ' HD3' ' A' ' 113' ' ' LYS . 3.7 p -118.29 166.48 12.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.4 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.585 ' O ' HD13 ' A' ' 125' ' ' ILE . 0.4 OUTLIER -175.36 -176.01 0.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.587 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -86.49 142.59 28.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 111.3 -20.01 23.87 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -85.49 154.68 21.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 0.774 . . . . 0.0 110.303 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.07 16.54 16.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -94.1 -45.17 7.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.342 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.585 HD13 ' O ' ' A' ' 119' ' ' HIS . 1.8 pt -65.79 -25.66 36.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.098 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.573 ' HB3' ' CD2' ' A' ' 89' ' ' TYR . 47.7 mt -73.65 108.03 6.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.583 ' CE1' ' HA2' ' A' ' 105' ' ' GLY . 1.7 m-30 -119.38 141.68 48.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.963 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.602 HD13 ' HD1' ' A' ' 89' ' ' TYR . 5.9 tp -127.81 126.63 23.92 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' PRO . . . . . 0.446 ' HA ' ' O ' ' A' ' 8' ' ' LEU . 18.3 Cg_endo -75.0 117.22 4.83 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.46 1.768 . . . . 0.0 111.006 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.489 HD12 ' HE1' ' A' ' 17' ' ' PHE . 35.9 mt -100.54 133.59 21.19 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 130' ' ' LEU . 18.1 Cg_endo -74.96 132.26 15.27 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.518 1.799 . . . . 0.0 111.001 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.527 ' HB ' HD11 ' A' ' 8' ' ' LEU . 6.1 p -118.33 -5.33 11.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 28.8 t -179.94 96.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.991 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.2 m -147.01 174.17 11.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.127 . . . . 0.0 110.049 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 177.77 -57.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.321 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 1.02 HD22 ' N ' ' A' ' 137' ' ' GLU . 0.0 OUTLIER -52.35 167.82 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 1.02 ' N ' HD22 ' A' ' 136' ' ' LEU . 0.5 OUTLIER -141.41 152.17 44.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -88.27 123.79 33.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 1.077 . . . . 0.0 109.585 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -179.17 100.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.606 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 46.7 t60 -129.57 103.15 6.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.581 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 23.9 m80 -112.29 149.94 31.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 109.606 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -159.41 154.32 24.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.597 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.577 179.988 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.513 0.197 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.413 ' H ' ' ND2' ' A' ' 2' ' ' ASN . 3.2 p30 -80.26 -40.88 26.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -145.04 111.51 5.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.45 94.84 4.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.4 pttt -133.3 152.0 78.6 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 159.49 41.27 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.499 1.789 . . . . 0.0 110.982 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.5 mtmt -142.49 155.02 45.01 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.623 HD22 HD12 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -103.56 139.91 38.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.721 HD11 HD21 ' A' ' 41' ' ' LEU . 1.9 mm? -91.63 115.04 27.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.255 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.516 ' O ' ' CD1' ' A' ' 127' ' ' PHE . 17.8 t80 -84.32 141.52 30.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 15' ' ' GLY . 20.9 t -116.4 70.86 0.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 108.339 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 11' ' ' CYS . 5.2 p -35.85 -35.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.001 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' A' ' 11' ' ' CYS . 14.2 t30 -42.24 -48.65 4.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 11' ' ' CYS . . . -124.93 -38.4 0.5 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 11' ' ' CYS . . . 103.23 58.94 0.73 Allowed Glycine 0 CA--C 1.531 1.031 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.416 ' CD2' ' HG2' ' A' ' 30' ' ' ARG . 14.9 m80 -135.48 167.07 21.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 0.761 . . . . 0.0 109.639 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -110.41 142.05 42.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.803 ' CD1' HD21 ' A' ' 106' ' ' LEU . 10.7 tp -78.51 114.25 17.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.863 ' HB3' HG22 ' A' ' 37' ' ' ILE . 4.6 ptm180 -117.54 154.48 31.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.298 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.695 HD11 ' HB2' ' A' ' 60' ' ' LEU . 6.0 mt -124.5 117.08 49.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.448 HD12 ' HB ' ' A' ' 25' ' ' THR . 23.8 mt -82.21 157.61 67.99 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -1.44 11.22 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.542 1.811 . . . . 0.0 111.019 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.96 6.72 47.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.23 40.86 27.91 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.558 1.161 . . . . 0.0 110.982 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.448 ' HB ' HD12 ' A' ' 21' ' ' LEU . 2.2 m -122.41 146.62 47.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 0.762 . . . . 0.0 110.441 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.3 t -129.72 121.11 51.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -144.75 161.92 38.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.09 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -90.67 138.46 14.41 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.499 1.124 . . . . 0.0 110.984 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.532 ' CG2' HG21 ' A' ' 37' ' ' ILE . 1.7 t -140.5 145.27 36.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 0.785 . . . . 0.0 110.37 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.416 ' HG2' ' CD2' ' A' ' 16' ' ' HIS . 1.3 ptt85 -117.99 36.49 4.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.3 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -121.37 87.39 2.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -40.65 -34.27 0.35 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.331 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.95 -49.68 3.26 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 110.038 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.441 ' OD2' HG23 ' A' ' 37' ' ' ILE . 3.9 t70 -48.07 136.37 11.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -102.13 -19.37 15.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.262 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.557 ' CD2' ' HG2' ' A' ' 55' ' ' GLU . 35.5 m80 -67.1 -33.4 75.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.586 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.863 HG22 ' HB3' ' A' ' 19' ' ' ARG . 37.4 pt -56.55 -33.01 38.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -53.64 94.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.554 1.159 . . . . 0.0 110.291 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.837 HD23 ' HA ' ' A' ' 53' ' ' SER . 35.2 mt -102.45 146.4 28.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.406 ' HB2' ' CG2' ' A' ' 54' ' ' THR . 0.0 OUTLIER -105.88 114.34 28.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.316 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.919 HD11 HG23 ' A' ' 51' ' ' ILE . 0.1 OUTLIER -91.0 136.56 32.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 109.299 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.418 ' O ' ' HA ' ' A' ' 49' ' ' VAL . 5.6 m -134.45 160.02 39.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.965 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -123.54 130.28 52.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.626 ' CD ' ' CE2' ' A' ' 50' ' ' TYR . 44.3 mt-10 -117.69 -49.37 2.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.305 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.68 160.41 30.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 109.972 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 97.9 t -58.01 127.54 17.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.06 32.47 73.04 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.478 1.111 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.79 ' HB3' HD11 ' A' ' 79' ' ' LEU . 11.2 mt-10 -140.53 137.09 33.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 0.782 . . . . 0.0 110.302 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.452 ' O ' HD12 ' A' ' 79' ' ' LEU . 22.1 m -142.34 151.77 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.788 ' CD2' HD13 ' A' ' 79' ' ' LEU . 5.2 m-85 -116.38 132.63 56.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.96 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.919 HG23 HD11 ' A' ' 41' ' ' LEU . 1.6 mt -115.96 107.3 22.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.423 ' HG2' ' N ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -132.05 145.0 51.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.335 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.837 ' HA ' HD23 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -82.81 137.21 34.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.964 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.406 ' CG2' ' HB2' ' A' ' 40' ' ' GLN . 9.6 p -96.2 -4.92 41.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.387 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.557 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 25.3 tp10 -85.24 -65.57 0.99 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 110.336 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 71.5 p -78.13 -64.81 1.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 110.398 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 127.39 46.13 0.2 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.483 1.114 . . . . 0.0 110.97 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -129.05 162.11 28.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 0.793 . . . . 0.0 110.286 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.468 ' CD1' ' N ' ' A' ' 59' ' ' TYR . 1.7 m-30 -111.6 138.89 47.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 111.036 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.695 ' HB2' HD11 ' A' ' 20' ' ' ILE . 2.7 tp -77.32 118.31 19.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -136.53 149.23 48.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 55.6 ttm -104.09 117.62 34.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 111.02 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.62 -162.98 0.29 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 72.4 p -87.14 -18.4 30.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.367 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.473 ' HB3' HD22 ' A' ' 67' ' ' LEU . 5.3 m-20 -66.64 -22.61 66.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 99.76 -7.94 59.53 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.473 HD22 ' HB3' ' A' ' 65' ' ' ASP . 0.2 OUTLIER -91.98 170.06 10.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 0.777 . . . . 0.0 109.276 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.864 HD11 HG13 ' A' ' 104' ' ' VAL . 3.4 mt -103.79 144.69 31.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.541 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 3.4 p90 -148.62 163.87 35.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -91.65 125.63 8.13 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.518 1.136 . . . . 0.0 111.019 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.7 t -92.38 140.01 30.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 0.769 . . . . 0.0 109.987 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -75.56 -32.03 60.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.5 p -120.79 156.82 55.94 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.389 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 108.99 2.84 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.521 1.801 . . . . 0.0 110.995 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 44.2 m-20 -127.04 154.84 44.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -47.3 -28.27 1.91 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 110.318 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -60.14 -25.15 65.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.303 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 33.4 m -82.45 -21.27 35.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 108.295 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.79 HD11 ' HB3' ' A' ' 48' ' ' GLU . 10.1 tp -86.51 127.94 34.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.406 ' O ' ' HA ' ' A' ' 48' ' ' GLU . 10.1 m-85 -124.3 163.75 21.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 111.003 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.673 HD22 ' N ' ' A' ' 81' ' ' LEU . 0.1 OUTLIER -104.01 125.49 50.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.411 ' OE1' ' N ' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -108.57 148.81 29.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.312 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.411 ' N ' ' OE1' ' A' ' 82' ' ' GLU . 0.4 OUTLIER -148.31 166.25 28.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.287 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.458 HD13 ' N ' ' A' ' 85' ' ' GLU . 0.1 OUTLIER -107.52 127.93 54.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.458 ' N ' HD13 ' A' ' 84' ' ' LEU . 2.8 mm-40 -103.25 164.77 11.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 110.297 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -86.11 49.78 1.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 110.318 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -152.82 26.19 0.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 53.04 33.83 15.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.576 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.446 ' CE1' HD12 ' A' ' 128' ' ' LEU . 3.1 m-85 -133.57 153.79 51.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.955 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -114.85 156.82 24.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 72.5 p -124.69 166.88 15.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.381 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -147.06 132.69 18.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 111.012 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.613 ' O ' HD22 ' A' ' 81' ' ' LEU . 61.0 mt -130.93 147.96 33.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.494 ' O ' ' HB2' ' A' ' 98' ' ' ALA . 40.7 t -76.48 138.05 40.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.006 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.454 ' HA ' HD21 ' A' ' 81' ' ' LEU . 0.1 OUTLIER -62.74 -74.16 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -44.48 -28.46 0.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.26 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.402 ' N ' ' C ' ' A' ' 95' ' ' LYS . 0.1 OUTLIER -122.44 52.11 1.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.616 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.494 ' HB2' ' O ' ' A' ' 94' ' ' SER . . . -97.9 -31.04 12.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -72.98 -24.04 60.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.326 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.592 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 2.4 mttt -79.81 1.23 27.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.242 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 45.78 64.78 1.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.323 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.592 ' CD1' ' O ' ' A' ' 100' ' ' LYS . 50.8 m0 -112.29 133.14 54.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 108.015 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.552 ' CE2' HD11 ' A' ' 93' ' ' ILE . 92.1 m-85 -112.73 148.7 34.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.864 HG13 HD11 ' A' ' 68' ' ' LEU . 70.0 t -63.51 -95.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.575 ' HA2' ' CE1' ' A' ' 127' ' ' PHE . . . 53.49 169.89 0.03 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 1.003 HD23 ' HA ' ' A' ' 112' ' ' CYS . 2.1 mt -137.14 132.9 34.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 0.785 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 111' ' ' SER . 44.7 mttt -50.83 179.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.76 -6.19 59.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -88.77 8.99 26.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 71.54 38.44 61.78 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.525 1.141 . . . . 0.0 111.028 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 107' ' ' LYS . 42.5 p -136.27 166.75 22.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 0.791 . . . . 0.0 109.986 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' CYS . . . . . 1.003 ' HA ' HD23 ' A' ' 106' ' ' LEU . 58.7 m -67.38 134.82 52.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 108.312 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.803 ' HZ1' HG22 ' A' ' 118' ' ' THR . 17.9 ttpp -90.88 126.92 36.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.435 ' O ' HG23 ' A' ' 118' ' ' THR . 0.0 OUTLIER -37.67 153.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.321 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.53 ' N ' ' CD ' ' A' ' 116' ' ' PRO . . . -79.35 -49.34 6.3 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.527 1.142 . . . . 0.0 111.026 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.589 ' HA ' ' CD1' ' A' ' 102' ' ' TRP . 18.3 Cg_endo -75.01 4.92 4.32 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.476 1.777 . . . . 0.0 111.007 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 3.2 mmt-85 -115.96 40.8 2.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.326 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.803 HG22 ' HZ1' ' A' ' 113' ' ' LYS . 16.6 p -126.63 167.12 16.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.367 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.547 ' O ' HD13 ' A' ' 125' ' ' ILE . 5.1 t-160 -163.89 -179.06 6.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.599 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -94.39 137.89 32.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 111.031 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 102.9 -6.97 52.31 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.453 1.095 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -80.21 161.2 25.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 0.773 . . . . 0.0 110.288 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.39 8.57 42.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.444 ' CB ' ' CE ' ' A' ' 113' ' ' LYS . . . -91.37 -50.39 5.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.246 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.547 HD13 ' O ' ' A' ' 119' ' ' HIS . 1.0 OUTLIER -64.87 -25.25 37.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 84.5 mt -74.19 106.83 6.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.575 ' CE1' ' HA2' ' A' ' 105' ' ' GLY . 0.7 OUTLIER -122.94 145.81 48.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 111.025 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.854 HD23 ' HD2' ' A' ' 129' ' ' PRO . 0.6 OUTLIER -127.64 117.73 21.18 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 129' ' ' PRO . . . . . 0.854 ' HD2' HD23 ' A' ' 128' ' ' LEU . 18.3 Cg_endo -75.02 118.67 5.34 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.504 1.791 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.502 ' CD2' ' O ' ' A' ' 128' ' ' LEU . 3.9 mm? -100.23 149.14 35.78 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 141.24 26.33 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.498 1.788 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.521 ' CG2' HD11 ' A' ' 8' ' ' LEU . 0.3 OUTLIER -149.63 163.25 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 44.26 80.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.986 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -155.74 107.87 2.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 109.989 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -155.02 140.56 17.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -54.43 -170.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 109.265 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 58.66 155.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.337 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 56.1 93.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.545 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -173.42 95.44 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.569 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER 68.05 156.46 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.597 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -83.19 145.5 29.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 109.63 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -91.76 125.72 36.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.16 . . . . 0.0 109.581 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 12.5 p-80 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.578 179.995 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.438 ' O ' ' N ' ' A' ' 3' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.47 0.176 . . . . 0.0 110.993 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.0 m120 60.95 -84.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.335 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.438 ' N ' ' O ' ' A' ' 1' ' ' MET . 68.4 m-85 -115.79 144.22 44.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.2 ptpt -78.27 166.0 23.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.339 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.6 tttp -169.58 65.3 0.54 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.899 ' O ' HG12 ' A' ' 132' ' ' VAL . 18.2 Cg_endo -75.07 149.14 35.97 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.492 1.785 . . . . 0.0 110.977 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.461 ' CB ' ' O ' ' A' ' 130' ' ' LEU . 0.0 OUTLIER -144.91 170.49 16.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.688 ' N ' HD22 ' A' ' 8' ' ' LEU . 0.1 OUTLIER -110.16 148.27 32.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.574 ' HB3' ' CE1' ' A' ' 127' ' ' PHE . 2.5 mp -92.06 104.08 16.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -72.64 101.92 3.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 111.0 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.505 ' HB2' HD12 ' A' ' 106' ' ' LEU . 42.5 t -79.92 70.48 6.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 108.231 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 11' ' ' CYS . 78.7 p -36.35 -33.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.122 . . . . 0.0 110.019 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 11' ' ' CYS . 6.7 t30 -40.46 -50.38 2.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.408 ' O ' ' NE2' ' A' ' 16' ' ' HIS . . . -141.93 13.46 2.62 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.503 1.127 . . . . 0.0 110.969 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.517 ' O ' ' CG ' ' A' ' 16' ' ' HIS . . . 57.21 91.59 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.517 ' CG ' ' O ' ' A' ' 15' ' ' GLY . 93.8 m-70 -158.65 160.99 37.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.449 0.735 . . . . 0.0 109.611 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.63 ' CD1' ' CB ' ' A' ' 8' ' ' LEU . 16.9 m-85 -109.54 142.07 41.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 0.0 111.006 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.689 ' CD1' HD21 ' A' ' 106' ' ' LEU . 11.9 tp -79.21 112.79 16.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.838 ' HB3' HG22 ' A' ' 37' ' ' ILE . 2.0 ptm180 -117.68 151.8 36.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 110.289 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.2 mt -124.85 116.68 47.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.46 HD12 ' CG2' ' A' ' 25' ' ' THR . 26.5 mt -78.63 157.51 77.02 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.13 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -4.04 14.82 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.495 1.787 . . . . 0.0 111.025 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.09 6.92 47.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.74 46.82 10.61 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.527 1.142 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.46 ' CG2' HD12 ' A' ' 21' ' ' LEU . 1.2 m -126.6 147.51 49.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 110.364 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.3 t -130.37 120.83 49.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -147.91 161.44 41.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -89.88 153.57 23.17 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.545 1.153 . . . . 0.0 111.006 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.6 t -162.37 125.2 2.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 0.742 . . . . 0.0 110.386 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.48 54.46 1.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -143.18 86.3 1.9 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.265 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.462 ' O ' ' C ' ' A' ' 33' ' ' SER . 1.2 mpp_? -41.13 -41.62 1.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.462 ' C ' ' O ' ' A' ' 32' ' ' ARG . 0.3 OUTLIER -34.47 -36.71 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.979 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 32' ' ' ARG . 0.4 OUTLIER -57.7 132.38 53.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.256 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -104.1 21.17 16.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 36.4 m80 -120.48 14.34 11.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.65 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.838 HG22 ' HB3' ' A' ' 19' ' ' ARG . 15.7 pt -102.87 -35.63 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.421 ' HG2' HG11 ' A' ' 132' ' ' VAL . 58.4 mt-30 -46.68 97.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.618 HD23 ' HA ' ' A' ' 53' ' ' SER . 15.2 mt -103.78 146.74 28.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.52 ' HG3' HG21 ' A' ' 54' ' ' THR . 0.0 OUTLIER -105.75 119.95 40.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 0.0 110.296 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.05 136.27 39.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.9 m -137.26 158.83 43.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.002 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -122.4 124.44 43.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.437 ' CG ' ' CD2' ' A' ' 50' ' ' TYR . 3.8 mm-40 -104.48 -52.64 2.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.091 . . . . 0.0 110.336 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -128.22 162.66 26.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.007 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.4 p -57.92 122.42 7.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 109.267 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.73 16.28 79.4 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.546 1.154 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.555 ' HB3' HD11 ' A' ' 79' ' ' LEU . 9.4 mt-10 -127.11 133.48 50.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 0.751 . . . . 0.0 110.312 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.0 m -140.8 147.52 22.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.437 ' CD2' ' CG ' ' A' ' 44' ' ' GLU . 0.7 OUTLIER -115.67 145.32 42.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.997 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.422 ' CG2' HD13 ' A' ' 39' ' ' LEU . 8.0 mt -126.43 113.19 32.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.405 ' HG2' ' N ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -131.79 143.03 49.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.618 ' HA ' HD23 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -78.32 136.65 37.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.038 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.52 HG21 ' HG3' ' A' ' 40' ' ' GLN . 79.4 p -94.77 19.55 9.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.418 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.497 ' OE2' ' N ' ' A' ' 54' ' ' THR . 1.1 pm0 -112.76 -63.31 1.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.9 p -88.1 -46.87 8.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.356 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 108.0 38.69 1.96 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.502 1.126 . . . . 0.0 110.994 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -111.88 144.91 40.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 0.774 . . . . 0.0 110.3 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 5.2 m-30 -92.99 139.83 30.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.9 tp -77.0 117.29 18.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -139.14 150.84 46.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 109.243 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 51.2 ttm -104.18 120.58 41.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 110.953 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -71.74 -179.49 2.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 37.9 p -78.32 -6.05 53.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.41 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.46 -16.3 40.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.347 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 99.23 -9.91 61.39 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.428 ' N ' HD13 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -87.1 157.72 19.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 0.755 . . . . 0.0 109.29 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.667 HD11 HG13 ' A' ' 104' ' ' VAL . 5.3 mt -96.37 144.4 26.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.557 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 1.8 p90 -153.18 160.76 42.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -89.09 122.55 6.47 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.482 1.114 . . . . 0.0 110.98 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.6 t -86.73 139.86 30.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 0.0 110.001 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -70.52 -34.44 72.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.9 p -121.77 158.35 54.68 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.402 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 112.25 3.52 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.51 1.795 . . . . 0.0 111.013 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -126.98 154.46 44.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.337 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -48.7 -23.76 1.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.434 1.084 . . . . 0.0 110.277 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -64.95 -24.0 67.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.157 . . . . 0.0 110.266 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 32.4 m -82.78 -16.47 47.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 108.263 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.555 HD11 ' HB3' ' A' ' 48' ' ' GLU . 3.2 tp -87.37 129.31 35.07 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.41 ' HA ' ' O ' ' A' ' 93' ' ' ILE . 13.6 m-85 -128.53 164.43 22.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.516 HD21 ' HA ' ' A' ' 95' ' ' LYS . 0.6 OUTLIER -104.13 131.38 51.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.2 145.36 35.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.331 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -147.78 163.9 35.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.511 HD13 ' N ' ' A' ' 85' ' ' GLU . 0.2 OUTLIER -102.76 127.52 49.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.511 ' N ' HD13 ' A' ' 84' ' ' LEU . 3.3 mm-40 -97.95 164.45 12.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -89.11 40.59 0.99 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 110.335 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -143.61 19.6 1.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.505 ' O ' HD11 ' A' ' 128' ' ' LEU . 0.8 OUTLIER 62.27 21.83 12.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.559 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.816 ' CD1' HD13 ' A' ' 128' ' ' LEU . 4.3 m-85 -117.34 160.98 20.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -114.7 156.47 24.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.456 HG22 ' O ' ' A' ' 125' ' ' ILE . 1.0 OUTLIER -131.54 156.69 45.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 110.358 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -140.39 132.84 28.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 110.988 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.703 HD11 ' CE2' ' A' ' 103' ' ' PHE . 59.0 mt -130.74 141.62 45.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.61 138.93 56.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.013 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.516 ' HA ' HD21 ' A' ' 81' ' ' LEU . 9.8 tttt -66.42 -66.5 0.54 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.472 ' HB3' ' CD2' ' A' ' 97' ' ' HIS . 15.7 mttt -48.14 -27.41 2.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.345 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.519 ' CD2' ' N ' ' A' ' 97' ' ' HIS . 0.5 OUTLIER -122.96 52.02 1.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.632 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -91.41 -37.49 13.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.097 . . . . 0.0 109.253 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -72.51 -19.18 61.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.311 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.473 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 3.3 mtpt -81.66 -2.73 51.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 48.14 64.88 1.48 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.473 ' CD1' ' O ' ' A' ' 100' ' ' LYS . 46.9 m0 -111.67 131.89 54.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 107.981 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.703 ' CE2' HD11 ' A' ' 93' ' ' ILE . 86.0 m-85 -114.99 146.34 41.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.667 HG13 HD11 ' A' ' 68' ' ' LEU . 79.6 t -64.81 -91.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.459 ' N ' HG12 ' A' ' 104' ' ' VAL . . . 53.01 169.2 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.532 1.145 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.905 HD23 ' HA ' ' A' ' 112' ' ' CYS . 3.5 mt -138.55 135.53 35.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 0.781 . . . . 0.0 109.292 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 111' ' ' SER . 6.4 mttt -53.62 -173.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -88.98 -6.94 56.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -91.74 7.17 43.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 73.96 36.78 51.45 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.46 1.1 . . . . 0.0 111.017 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 107' ' ' LYS . 3.6 m -128.18 165.75 19.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 0.785 . . . . 0.0 110.013 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' CYS . . . . . 0.905 ' HA ' HD23 ' A' ' 106' ' ' LEU . 24.4 p -73.52 135.01 43.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 108.336 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.868 ' HE3' HG22 ' A' ' 118' ' ' THR . 30.8 ttpt -90.93 129.37 36.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.519 ' O ' HG23 ' A' ' 118' ' ' THR . 0.6 OUTLIER -38.15 150.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.578 ' N ' ' CD ' ' A' ' 116' ' ' PRO . . . -78.85 -46.54 8.39 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 115' ' ' GLY . 18.1 Cg_endo -75.03 3.43 5.64 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.474 1.776 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -119.1 44.04 2.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.142 . . . . 0.0 110.256 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.868 HG22 ' HE3' ' A' ' 113' ' ' LYS . 16.5 p -124.5 166.94 15.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.433 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -174.15 177.76 2.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.585 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -91.32 123.67 34.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 130.4 -17.01 5.37 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.464 1.103 . . . . 0.0 111.052 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -85.62 147.68 26.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 0.772 . . . . 0.0 110.305 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.405 ' C ' ' OD1' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -92.45 26.83 2.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -102.39 -46.16 4.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.456 ' O ' HG22 ' A' ' 91' ' ' THR . 6.9 pt -63.7 -28.06 44.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.453 ' HB3' ' CG ' ' A' ' 89' ' ' TYR . 19.8 mt -70.87 134.44 47.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.574 ' CE1' ' HB3' ' A' ' 9' ' ' LEU . 0.5 OUTLIER -137.59 154.43 49.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.961 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.816 HD13 ' CD1' ' A' ' 89' ' ' TYR . 4.9 tp -134.24 109.14 11.46 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' PRO . . . . . 0.445 ' HA ' ' O ' ' A' ' 8' ' ' LEU . 18.2 Cg_endo -75.01 122.7 7.37 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.556 1.819 . . . . 0.0 110.986 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.491 ' CD2' ' O ' ' A' ' 128' ' ' LEU . 3.8 mm? -103.06 140.0 20.64 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 130' ' ' LEU . 18.3 Cg_endo -74.95 103.91 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.477 1.778 . . . . 0.0 111.022 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.899 HG12 ' O ' ' A' ' 6' ' ' PRO . 2.5 p -95.89 -5.56 10.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 170.87 128.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 110.02 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.462 ' O ' ' N ' ' A' ' 136' ' ' LEU . 59.1 p -162.74 -172.91 3.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.023 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 8.0 t70 60.55 -82.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 134' ' ' SER . 0.1 OUTLIER 58.31 -152.78 0.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 109.337 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.419 ' H ' HD23 ' A' ' 136' ' ' LEU . 1.4 mt-10 -38.35 141.98 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.282 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' HIS . . . . . 0.492 ' CG ' ' O ' ' A' ' 138' ' ' HIS . 1.0 OUTLIER -158.74 82.21 0.8 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.59 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -85.02 -58.96 2.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.616 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 62.39 94.18 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.588 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -51.52 170.13 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.579 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -154.51 156.36 36.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.651 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.567 179.983 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.6 tpp . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.49 0.186 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 62.5 m-20 -42.05 119.51 1.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -94.61 115.84 28.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -168.29 111.92 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -171.26 91.78 0.44 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.44 ' O ' HG12 ' A' ' 132' ' ' VAL . 18.4 Cg_endo -75.04 155.46 42.74 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.538 1.809 . . . . 0.0 110.973 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.9 mttm -144.64 152.92 41.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.631 ' N ' HD22 ' A' ' 8' ' ' LEU . 0.3 OUTLIER -114.07 151.13 32.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.288 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.599 HD23 ' HB3' ' A' ' 18' ' ' LEU . 1.9 mm? -95.96 129.12 43.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -100.73 120.35 39.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 111.01 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 12' ' ' SER . 49.1 t -103.9 72.51 1.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 108.282 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 11' ' ' CYS . 1.9 t -35.61 -38.01 0.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.11 . . . . 0.0 110.012 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' A' ' 12' ' ' SER . 41.6 t30 -38.44 -56.93 1.2 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -117.08 -35.07 1.15 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.538 1.149 . . . . 0.0 111.018 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 11' ' ' CYS . . . 96.77 50.34 1.82 Allowed Glycine 0 CA--C 1.53 1.031 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.551 ' CD2' ' HA2' ' A' ' 110' ' ' GLY . 23.4 m80 -120.31 149.98 41.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 0.771 . . . . 0.0 109.577 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.585 ' CE2' ' HG3' ' A' ' 32' ' ' ARG . 3.7 m-85 -96.55 139.79 32.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 111.024 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.599 ' HB3' HD23 ' A' ' 9' ' ' LEU . 11.6 tp -79.1 114.99 18.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.886 ' HB3' HG22 ' A' ' 37' ' ' ILE . 5.5 ptm180 -125.64 154.62 42.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.578 1.174 . . . . 0.0 110.302 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.568 HD11 ' HB2' ' A' ' 60' ' ' LEU . 56.0 mt -124.16 121.66 62.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.142 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.521 HD12 ' HB ' ' A' ' 25' ' ' THR . 28.4 mt -86.08 157.63 56.62 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 0.36 9.02 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.523 1.801 . . . . 0.0 110.983 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.71 -0.34 40.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.339 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.23 43.05 7.67 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.447 1.092 . . . . 0.0 110.956 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.521 ' HB ' HD12 ' A' ' 21' ' ' LEU . 2.4 m -126.84 147.28 50.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 0.772 . . . . 0.0 110.389 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.664 HG13 ' O ' ' A' ' 19' ' ' ARG . 5.2 t -135.62 122.97 35.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.461 ' OD1' HG22 ' A' ' 25' ' ' THR . 0.0 OUTLIER -146.23 162.92 37.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -89.16 140.16 15.59 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.479 1.112 . . . . 0.0 111.047 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.1 t -136.6 162.44 33.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 0.75 . . . . 0.0 110.427 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.472 ' HE ' ' CD2' ' A' ' 16' ' ' HIS . 78.9 mtt180 -123.16 42.08 3.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 33' ' ' SER . 4.7 t0 -133.05 70.9 1.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.585 ' HG3' ' CE2' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -38.03 -31.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.31 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 31' ' ' ASP . 0.3 OUTLIER -46.77 -38.28 9.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.0 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.714 ' OD2' HG23 ' A' ' 37' ' ' ILE . 21.9 t70 -43.8 143.63 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -102.6 -25.51 13.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.281 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 54.7 m80 -65.24 -31.47 72.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.618 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.886 HG22 ' HB3' ' A' ' 19' ' ' ARG . 44.3 pt -59.85 -36.21 65.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.422 ' HG2' HG11 ' A' ' 132' ' ' VAL . 56.6 mt-30 -46.78 95.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.277 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.734 HD23 ' HA ' ' A' ' 53' ' ' SER . 37.7 mt -106.32 140.84 38.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.819 ' HG2' HG22 ' A' ' 54' ' ' THR . 0.0 OUTLIER -104.99 114.56 28.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.128 . . . . 0.0 110.35 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.861 ' CD1' HG23 ' A' ' 51' ' ' ILE . 0.3 OUTLIER -91.83 135.99 33.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.416 ' O ' ' HA ' ' A' ' 49' ' ' VAL . 6.5 m -133.34 161.02 35.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 110.026 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -120.37 129.47 53.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.414 ' CG ' ' CD2' ' A' ' 50' ' ' TYR . 4.2 mm-40 -112.2 -52.66 2.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.7 165.63 20.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.98 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.8 p -60.05 121.27 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.421 ' O ' HD12 ' A' ' 81' ' ' LEU . . . 76.65 23.96 68.7 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.532 1.145 . . . . 0.0 110.971 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.583 ' HB3' HD11 ' A' ' 79' ' ' LEU . 14.9 mt-10 -133.64 133.31 41.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 0.781 . . . . 0.0 110.318 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.416 ' HA ' ' O ' ' A' ' 42' ' ' SER . 6.2 m -140.91 148.45 21.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.157 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.414 ' CD2' ' CG ' ' A' ' 44' ' ' GLU . 0.9 OUTLIER -116.32 131.98 56.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 111.009 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.861 HG23 ' CD1' ' A' ' 41' ' ' LEU . 6.5 mt -117.69 113.22 41.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -133.86 152.8 51.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.734 ' HA ' HD23 ' A' ' 39' ' ' LEU . 0.3 OUTLIER -78.89 137.26 37.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.819 HG22 ' HG2' ' A' ' 40' ' ' GLN . 71.5 p -88.31 -10.05 50.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.465 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.43 -73.93 0.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 110.274 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 82.2 p -69.41 -66.24 0.61 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.45 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 122.82 47.55 0.26 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.477 1.111 . . . . 0.0 110.998 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -125.03 136.11 53.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 0.732 . . . . 0.0 110.315 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -79.7 144.15 33.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 0.0 111.003 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.568 ' HB2' HD11 ' A' ' 20' ' ' ILE . 8.7 tp -77.37 119.41 20.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.544 ' HB2' ' SG ' ' A' ' 78' ' ' CYS . . . -138.35 147.77 43.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.133 . . . . 0.0 109.254 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 31.6 ttm -104.21 116.3 31.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 111.029 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.59 ' OD2' ' CD2' ' A' ' 69' ' ' TYR . 1.0 OUTLIER -66.9 -171.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 61.5 p -83.06 -15.35 51.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.403 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.673 ' HB3' HD22 ' A' ' 67' ' ' LEU . 4.3 m-20 -77.88 -8.56 58.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.7 -13.67 65.09 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.486 1.116 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.673 HD22 ' HB3' ' A' ' 65' ' ' ASP . 0.3 OUTLIER -78.83 156.48 28.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 0.753 . . . . 0.0 109.321 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.735 HD21 HG22 ' A' ' 104' ' ' VAL . 3.8 mt -95.84 142.18 28.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.267 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.59 ' CD2' ' OD2' ' A' ' 63' ' ' ASP . 1.5 p90 -151.68 155.03 37.5 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -88.21 128.22 8.96 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.1 t -92.01 139.99 30.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 0.742 . . . . 0.0 109.999 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -62.3 -37.62 86.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.309 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.4 p -123.48 160.25 51.51 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.378 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 111.14 3.26 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.523 1.801 . . . . 0.0 111.029 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -123.53 157.21 34.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.308 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -50.87 -24.57 3.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 110.287 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -69.14 -11.01 60.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.544 ' SG ' ' HB2' ' A' ' 61' ' ' ALA . 34.7 m -97.64 -15.04 20.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 108.337 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.583 HD11 ' HB3' ' A' ' 48' ' ' GLU . 3.4 tp -84.89 122.91 29.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -124.4 164.36 19.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.64 HD22 ' N ' ' A' ' 81' ' ' LEU . 0.3 OUTLIER -104.24 128.02 51.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.413 ' HG2' ' N ' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -109.15 143.91 37.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 110.304 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.413 ' N ' ' HG2' ' A' ' 82' ' ' GLU . 0.1 OUTLIER -142.95 165.73 26.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.348 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.48 113.81 25.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.475 ' HG3' ' CG2' ' A' ' 91' ' ' THR . 2.4 mm-40 -102.72 165.44 11.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.34 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -66.54 178.8 1.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.358 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.402 ' HB3' ' CE2' ' A' ' 89' ' ' TYR . 25.6 m-20 61.9 15.06 6.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 57.47 70.37 0.66 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.611 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.626 ' CE1' HD12 ' A' ' 128' ' ' LEU . 18.0 m-85 -144.1 164.87 29.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.967 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -122.4 153.31 39.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.475 ' CG2' ' HG3' ' A' ' 85' ' ' GLU . 18.5 p -129.96 163.45 26.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.371 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -146.7 133.74 20.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.978 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.588 ' O ' HD22 ' A' ' 81' ' ' LEU . 32.9 mt -134.08 137.1 52.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.1 t -64.36 138.17 58.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.983 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.51 ' HA ' HD21 ' A' ' 81' ' ' LEU . 0.7 OUTLIER -64.75 -70.07 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.259 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -46.24 -29.28 1.54 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -122.24 54.72 1.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.58 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.45 ' HA ' ' CG2' ' A' ' 93' ' ' ILE . . . -92.02 -35.95 13.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -73.78 -19.63 60.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.566 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 1.1 mtpt -77.65 -4.01 43.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 47.57 64.16 1.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.566 ' CD1' ' O ' ' A' ' 100' ' ' LYS . 49.3 m0 -112.6 132.51 55.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 107.968 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.583 ' CE2' HD11 ' A' ' 93' ' ' ILE . 95.4 m-85 -114.33 148.89 36.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.735 HG22 HD21 ' A' ' 68' ' ' LEU . 31.3 t -73.53 -21.56 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.493 ' C ' ' O ' ' A' ' 104' ' ' VAL . . . -30.31 145.08 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.515 1.134 . . . . 0.0 111.013 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.75 HD23 ' HA ' ' A' ' 112' ' ' CYS . 1.6 mt -106.63 148.68 28.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 0.78 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 111' ' ' SER . 3.4 mtpt -55.7 -168.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.407 ' CG ' ' O ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -104.13 -9.72 18.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 23.1 m-20 -91.91 23.63 3.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.311 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.551 ' HA2' ' CD2' ' A' ' 16' ' ' HIS . . . 63.48 41.41 99.28 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.423 1.077 . . . . 0.0 111.028 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.481 ' O ' ' N ' ' A' ' 107' ' ' LYS . 4.8 m -137.84 164.85 27.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 0.77 . . . . 0.0 110.033 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' CYS . . . . . 0.75 ' HA ' HD23 ' A' ' 106' ' ' LEU . 26.8 p -75.62 135.16 40.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 108.261 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.654 ' HD3' HG22 ' A' ' 118' ' ' THR . 13.5 tttt -91.28 112.93 25.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.309 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 113' ' ' LYS . 0.1 OUTLIER -36.62 130.23 0.75 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.498 ' N ' ' CD ' ' A' ' 116' ' ' PRO . . . -46.13 -51.31 11.51 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 115' ' ' GLY . 18.2 Cg_endo -74.95 7.68 2.74 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.475 1.776 . . . . 0.0 110.996 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 7.1 mmt180 -122.17 42.72 3.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.331 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.654 HG22 ' HD3' ' A' ' 113' ' ' LYS . 14.1 p -129.56 167.47 17.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 110.393 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.729 ' O ' HD13 ' A' ' 125' ' ' ILE . 55.5 m80 -147.47 173.04 13.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.153 . . . . 0.0 109.596 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.478 ' HA ' ' CD1' ' A' ' 125' ' ' ILE . 1.6 t80 -94.44 137.2 33.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 111.014 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLY . . . . . 0.534 ' H ' HD11 ' A' ' 125' ' ' ILE . . . 87.11 15.66 62.26 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.467 1.105 . . . . 0.0 111.024 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -96.31 136.89 36.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 0.786 . . . . 0.0 110.312 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.648 ' HA ' HD12 ' A' ' 126' ' ' LEU . 0.6 OUTLIER -57.28 -17.35 11.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -69.47 -62.05 1.54 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.729 HD13 ' O ' ' A' ' 119' ' ' HIS . 1.3 pt -58.54 -33.45 48.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.648 HD12 ' HA ' ' A' ' 123' ' ' LYS . 52.1 mt -62.25 100.79 0.19 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.095 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.551 ' CD1' ' HB3' ' A' ' 9' ' ' LEU . 1.6 m-85 -109.14 132.78 53.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 0.0 110.994 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.867 HD23 ' HD2' ' A' ' 129' ' ' PRO . 0.8 OUTLIER -116.39 120.25 35.09 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 129' ' ' PRO . . . . . 0.867 ' HD2' HD23 ' A' ' 128' ' ' LEU . 18.2 Cg_endo -75.04 122.96 7.52 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.458 1.767 . . . . 0.0 111.03 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 36.9 mt -106.26 150.76 39.81 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 154.89 43.01 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.536 1.809 . . . . 0.0 111.02 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.581 ' HB ' HD21 ' A' ' 8' ' ' LEU . 0.5 OUTLIER -157.22 164.16 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 109.325 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 7.2 t 51.89 91.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 110.017 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.33 133.51 52.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.996 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -171.96 108.78 0.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -40.17 157.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.35 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 175.24 126.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.277 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -128.53 170.64 12.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.578 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 11.2 p-80 -109.58 163.62 13.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.615 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -103.4 116.04 31.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.156 . . . . 0.0 109.591 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.16 172.49 3.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.599 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 33.7 m80 -116.38 165.26 13.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.618 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 42.2 t60 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.599 179.977 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.471 0.177 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 32.9 t-20 50.81 91.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -111.46 -50.34 2.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 111.02 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 43.92 76.43 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 109.348 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -168.86 78.05 0.75 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.48 ' O ' HG12 ' A' ' 132' ' ' VAL . 18.3 Cg_endo -74.97 163.74 34.78 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.51 1.795 . . . . 0.0 111.028 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -135.17 162.37 32.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.813 HD22 HD12 ' A' ' 37' ' ' ILE . 0.4 OUTLIER -118.15 143.89 46.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.769 HD21 ' CE2' ' A' ' 92' ' ' TYR . 2.9 mp -92.19 127.79 37.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 109.346 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.465 ' HB2' ' CD2' ' A' ' 130' ' ' LEU . 34.3 t80 -104.72 119.3 38.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 0.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 13' ' ' ASN . 42.3 t -96.91 77.18 2.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 108.325 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 11' ' ' CYS . 25.1 p -37.74 -31.88 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.986 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 11' ' ' CYS . 23.9 t30 -40.47 -67.43 0.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 109.246 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.41 ' CA ' ' HG2' ' A' ' 108' ' ' LYS . . . -116.01 -20.17 5.34 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.518 1.137 . . . . 0.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.476 ' O ' ' CG ' ' A' ' 16' ' ' HIS . . . 85.75 95.44 0.78 Allowed Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.582 ' CD2' ' HB2' ' A' ' 30' ' ' ARG . 73.2 m80 -158.13 178.18 10.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 0.751 . . . . 0.0 109.597 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.41 ' CE2' ' HG2' ' A' ' 32' ' ' ARG . 10.6 m-85 -127.21 141.91 51.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.981 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.717 ' CD1' HD21 ' A' ' 106' ' ' LEU . 11.9 tp -79.12 114.04 17.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.859 ' HD2' HD21 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -118.56 151.65 37.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 110.347 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.708 HD11 ' HB2' ' A' ' 60' ' ' LEU . 13.3 mt -122.5 108.21 21.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.859 HD21 ' HD2' ' A' ' 19' ' ' ARG . 34.9 mt -83.02 157.5 66.07 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -0.65 10.23 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.481 1.779 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.52 -8.61 28.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.169 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 88.86 47.96 4.03 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.459 1.1 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.624 ' HB ' HD12 ' A' ' 21' ' ' LEU . 3.0 m -126.11 134.47 51.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 0.763 . . . . 0.0 110.422 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.482 HG11 ' CD1' ' A' ' 60' ' ' LEU . 2.8 t -132.87 106.01 9.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.407 ' OD2' ' CG2' ' A' ' 25' ' ' THR . 0.6 OUTLIER -150.39 162.16 41.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.43 130.63 15.8 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.494 ' O ' ' C ' ' A' ' 30' ' ' ARG . 4.4 t -120.03 -5.38 10.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 0.0 110.41 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.582 ' HB2' ' CD2' ' A' ' 16' ' ' HIS . 17.4 ttt180 31.39 40.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 29' ' ' THR . 0.4 OUTLIER -132.64 109.75 9.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.41 ' HG2' ' CE2' ' A' ' 17' ' ' PHE . 5.1 mtm-85 -70.26 -22.86 62.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.86 -43.71 77.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.973 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.46 144.4 4.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.117 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -108.05 0.95 22.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.291 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.478 ' CD2' ' HG2' ' A' ' 55' ' ' GLU . 7.0 m80 -99.89 0.4 41.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.553 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.813 HD12 HD22 ' A' ' 8' ' ' LEU . 10.3 pt -85.42 -34.35 8.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -54.31 92.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.336 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.581 HD21 ' CD1' ' A' ' 20' ' ' ILE . 26.6 mt -98.31 146.6 25.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.449 ' HB2' ' CG2' ' A' ' 54' ' ' THR . 0.0 OUTLIER -105.73 115.5 30.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 110.276 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.42 135.93 34.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.346 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.4 ' O ' ' HA ' ' A' ' 49' ' ' VAL . 29.7 t -131.78 163.28 28.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.996 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -122.66 127.19 48.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -113.98 -44.99 3.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.127 . . . . 0.0 110.289 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.21 166.2 18.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.971 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 77.9 t -68.79 114.4 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.401 ' O ' ' HA ' ' A' ' 81' ' ' LEU . . . 90.11 5.73 70.04 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.43 1.082 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.926 ' HG2' HD23 ' A' ' 81' ' ' LEU . 11.0 mt-10 -120.17 142.19 49.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 0.732 . . . . 0.0 110.252 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 42' ' ' SER . 36.0 m -138.06 151.4 25.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -118.84 133.22 55.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.8 mt -117.61 117.21 54.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.555 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 0.1 OUTLIER -127.25 152.81 46.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.255 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.8 t -81.5 137.03 35.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.988 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.449 ' CG2' ' HB2' ' A' ' 40' ' ' GLN . 35.6 p -101.29 4.52 41.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.401 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.478 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 46.5 tp10 -109.62 -80.99 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.262 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.467 ' OG1' ' N ' ' A' ' 57' ' ' GLY . 62.3 p -59.06 -77.35 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.423 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.467 ' N ' ' OG1' ' A' ' 56' ' ' THR . . . 141.39 44.75 0.06 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.456 1.098 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -129.32 160.08 34.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 0.773 . . . . 0.0 110.32 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.555 ' CD1' ' HG2' ' A' ' 52' ' ' LYS . 5.2 m-30 -104.59 143.23 33.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 111.022 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.708 ' HB2' HD11 ' A' ' 20' ' ' ILE . 3.9 tp -77.34 110.47 12.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.466 ' HB2' ' SG ' ' A' ' 78' ' ' CYS . . . -140.73 154.34 46.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.504 ' HE2' HD21 ' A' ' 68' ' ' LEU . 5.0 tpp -104.69 131.1 52.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.404 ' CG ' ' CE2' ' A' ' 69' ' ' TYR . 0.4 OUTLIER -82.45 -168.4 1.98 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.5 p -82.97 -1.04 51.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.407 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -91.8 -6.06 52.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.424 ' C ' HD13 ' A' ' 67' ' ' LEU . . . 82.56 7.7 87.12 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.5 1.125 . . . . 0.0 111.028 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.424 HD13 ' C ' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -101.66 168.42 9.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 0.787 . . . . 0.0 109.314 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.538 HD21 HG22 ' A' ' 104' ' ' VAL . 7.5 mt -106.3 140.63 38.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.535 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 3.3 p90 -146.19 154.33 41.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 110.983 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -75.56 111.08 3.23 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.507 1.13 . . . . 0.0 110.979 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.07 131.82 34.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 0.801 . . . . 0.0 109.99 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -72.49 -51.86 18.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 110.303 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.6 p -98.83 156.58 35.4 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.392 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 115.33 4.26 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.462 1.77 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -127.0 151.93 47.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 109.274 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -45.85 -31.09 1.94 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.117 . . . . 0.0 110.325 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.553 ' O ' ' CE1' ' A' ' 80' ' ' PHE . 46.5 mt-10 -59.07 -32.53 69.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.305 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.466 ' SG ' ' HB2' ' A' ' 61' ' ' ALA . 61.7 m -72.63 -17.54 61.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.56 1.162 . . . . 0.0 108.277 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.588 HD11 ' HB3' ' A' ' 48' ' ' GLU . 2.5 tp -90.57 117.83 29.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.553 ' CE1' ' O ' ' A' ' 77' ' ' GLU . 23.9 m-85 -118.76 164.13 15.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.926 HD23 ' HG2' ' A' ' 48' ' ' GLU . 4.5 mt -104.19 127.17 51.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -108.68 148.41 30.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 110.255 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.74 166.63 30.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 110.326 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.474 HD13 ' N ' ' A' ' 85' ' ' GLU . 0.7 OUTLIER -95.63 121.64 37.54 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.568 ' HG3' HG23 ' A' ' 91' ' ' THR . 1.2 mm-40 -112.33 161.52 16.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.27 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -63.69 175.57 1.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.4 m-20 63.54 13.45 7.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 2.7 t60 60.22 63.8 1.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.137 . . . . 0.0 109.595 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.553 ' CE1' HD12 ' A' ' 128' ' ' LEU . 2.7 m-85 -142.89 152.57 42.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.965 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -113.72 155.18 26.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.568 HG23 ' HG3' ' A' ' 85' ' ' GLU . 31.5 p -126.95 163.25 24.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 110.407 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.769 ' CE2' HD21 ' A' ' 9' ' ' LEU . 45.3 m-85 -142.24 133.18 25.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 111.037 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.597 HD11 ' CE2' ' A' ' 103' ' ' PHE . 46.1 mt -137.3 139.21 44.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.8 t -61.99 138.27 58.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.964 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 24.7 tttt -73.66 -48.73 30.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.51 ' HB3' ' CD2' ' A' ' 97' ' ' HIS . 0.7 OUTLIER -63.63 -27.62 69.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.527 ' CD2' ' N ' ' A' ' 97' ' ' HIS . 0.5 OUTLIER -121.13 37.8 4.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.597 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.54 -44.39 82.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -69.77 -12.2 61.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.321 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.534 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 13.2 mttt -83.11 -9.84 59.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.452 1.095 . . . . 0.0 109.345 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 49.61 63.67 2.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.534 ' CD1' ' O ' ' A' ' 100' ' ' LYS . 48.3 m0 -112.97 132.18 55.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 108.009 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.597 ' CE2' HD11 ' A' ' 93' ' ' ILE . 84.2 m-85 -114.25 149.16 36.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.538 HG22 HD21 ' A' ' 68' ' ' LEU . 23.8 t -75.15 -22.0 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.519 ' HA2' ' CE2' ' A' ' 127' ' ' PHE . . . -32.93 147.94 0.01 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.493 1.121 . . . . 0.0 110.984 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.717 HD21 ' CD1' ' A' ' 18' ' ' LEU . 1.0 OUTLIER -107.29 154.13 21.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 0.766 . . . . 0.0 109.318 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 111' ' ' SER . 34.3 mttm -60.97 -164.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.41 ' HG2' ' CA ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER -108.8 -6.23 15.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.26 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -92.69 5.01 52.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 84.26 31.83 24.39 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.513 1.133 . . . . 0.0 111.014 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.471 ' O ' ' N ' ' A' ' 107' ' ' LYS . 95.7 p -129.82 167.53 17.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 0.786 . . . . 0.0 109.99 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 16.1 p -76.2 135.55 39.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 108.288 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.731 ' CD ' HG22 ' A' ' 118' ' ' THR . 9.8 ttmm -89.78 114.48 26.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.336 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 113' ' ' LYS . 0.8 OUTLIER -38.85 131.78 1.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 110.267 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.543 ' N ' ' CD ' ' A' ' 116' ' ' PRO . . . -52.77 -48.53 56.57 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.461 1.1 . . . . 0.0 111.027 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.543 ' CD ' ' N ' ' A' ' 115' ' ' GLY . 18.4 Cg_endo -75.01 6.01 3.65 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.513 1.796 . . . . 0.0 110.973 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -116.42 8.27 14.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.306 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.731 HG22 ' CD ' ' A' ' 113' ' ' LYS . 1.3 p -114.52 152.55 31.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 110.412 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -163.1 -166.52 1.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.629 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -89.18 135.86 33.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 115.73 -14.51 17.27 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.53 1.144 . . . . 0.0 110.95 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -87.95 153.45 21.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 0.761 . . . . 0.0 110.343 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -95.74 20.66 9.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -99.9 -45.31 5.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.565 ' HB ' ' CD2' ' A' ' 103' ' ' PHE . 5.1 pt -56.89 -32.43 38.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 42.4 mt -62.54 123.81 19.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.571 ' CE1' ' HB3' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -137.89 137.05 37.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.985 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.857 HD23 ' HD2' ' A' ' 129' ' ' PRO . 0.7 OUTLIER -121.87 120.73 28.4 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 129' ' ' PRO . . . . . 0.857 ' HD2' HD23 ' A' ' 128' ' ' LEU . 18.2 Cg_endo -74.98 106.81 2.35 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.503 1.791 . . . . 0.0 111.01 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.56 HD22 ' O ' ' A' ' 128' ' ' LEU . 2.7 mm? -87.41 149.02 45.85 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.351 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 130' ' ' LEU . 18.2 Cg_endo -74.99 133.14 16.24 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.51 1.794 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.521 ' CG2' HD11 ' A' ' 8' ' ' LEU . 0.3 OUTLIER -140.5 167.72 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.5 t 43.76 84.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.153 . . . . 0.0 110.006 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.97 163.19 8.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.008 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -176.61 130.76 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.522 HD22 ' HA ' ' A' ' 136' ' ' LEU . 0.2 OUTLIER -49.93 178.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.426 ' H ' HD13 ' A' ' 136' ' ' LEU . 0.8 OUTLIER -179.88 -66.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.322 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 67.77 104.82 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.646 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 3.3 p-80 -62.14 146.82 49.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.594 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -69.04 -74.03 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.599 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 79.9 153.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.6 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 26.8 t-80 -130.19 -69.4 0.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.573 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.614 179.999 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.463 0.173 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 174.82 140.97 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 109.325 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -135.17 -174.46 3.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.981 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.17 -63.02 1.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -162.01 70.87 2.33 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 143.81 29.72 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.534 1.807 . . . . 0.0 111.027 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.623 ' HB3' HD22 ' A' ' 41' ' ' LEU . 1.3 tppt? -141.88 165.37 27.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.467 ' O ' ' HA ' ' A' ' 129' ' ' PRO . 15.2 mt -124.44 137.9 54.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.744 ' CD1' HD21 ' A' ' 41' ' ' LEU . 1.9 mp -92.3 107.51 19.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.336 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.467 ' O ' ' CD1' ' A' ' 127' ' ' PHE . 20.5 t80 -86.23 152.01 23.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.461 ' O ' ' N ' ' A' ' 15' ' ' GLY . 43.9 t -130.26 77.09 1.77 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 108.298 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 11' ' ' CYS . 11.1 p -35.12 -35.7 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.982 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 11' ' ' CYS . 24.9 t30 -42.0 -51.9 4.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -122.05 -36.37 0.71 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 11' ' ' CYS . . . 95.35 68.54 1.02 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 29.5 m80 -141.81 171.82 13.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 0.781 . . . . 0.0 109.618 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -111.27 141.92 44.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 111.022 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.812 ' CD1' HD21 ' A' ' 106' ' ' LEU . 13.0 tp -80.12 110.51 15.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.928 ' HB3' HG22 ' A' ' 37' ' ' ILE . 3.7 ptm180 -111.44 152.17 27.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.271 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.519 HD11 ' HB2' ' A' ' 60' ' ' LEU . 12.9 mt -124.37 118.58 54.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.62 HD12 ' HB ' ' A' ' 25' ' ' THR . 20.2 mt -85.16 156.77 60.06 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -3.1 13.42 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.498 1.789 . . . . 0.0 111.01 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.79 -2.31 51.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.48 41.88 7.64 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.536 1.148 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.62 ' HB ' HD12 ' A' ' 21' ' ' LEU . 3.0 m -122.36 147.7 45.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 0.771 . . . . 0.0 110.374 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 15.0 t -129.53 120.2 50.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -144.86 162.22 37.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -91.65 152.37 21.43 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.512 1.132 . . . . 0.0 111.03 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.67 ' CG2' HG21 ' A' ' 37' ' ' ILE . 5.9 t -156.36 126.54 6.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 0.0 110.383 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.6 ttt-85 -101.35 55.88 0.84 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.254 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' A' ' 33' ' ' SER . 1.7 t0 -143.99 101.96 3.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -68.47 60.55 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 31' ' ' ASP . 0.1 OUTLIER -134.25 -46.55 0.77 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.986 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.4 ' HB3' HG23 ' A' ' 37' ' ' ILE . 1.1 t0 -44.35 132.68 5.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -90.63 28.74 1.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 3.4 m80 -126.32 -44.26 1.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 0.0 109.612 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.928 HG22 ' HB3' ' A' ' 19' ' ' ARG . 41.3 pt -46.88 -28.64 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -62.16 82.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 110.34 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.844 HD23 ' HA ' ' A' ' 53' ' ' SER . 18.8 mt -90.92 147.28 23.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.568 ' HG3' HG21 ' A' ' 54' ' ' THR . 0.0 OUTLIER -105.28 114.87 29.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.936 ' CD1' HG23 ' A' ' 51' ' ' ILE . 0.1 OUTLIER -92.88 135.64 33.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.7 m -139.9 157.18 46.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.993 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -114.94 125.41 53.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.26 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -113.03 -39.0 4.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.262 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.22 165.17 20.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.02 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.2 p -66.32 118.48 9.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.03 11.71 84.88 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.473 1.108 . . . . 0.0 111.061 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.669 ' HB3' HD11 ' A' ' 79' ' ' LEU . 21.3 mt-10 -119.42 139.79 51.45 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 0.762 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.7 m -136.76 150.89 27.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.543 ' CE2' HD22 ' A' ' 79' ' ' LEU . 2.9 m-85 -117.92 131.67 56.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 110.953 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.936 HG23 ' CD1' ' A' ' 41' ' ' LEU . 2.6 mt -115.66 108.22 24.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.563 ' HE3' ' CE1' ' A' ' 59' ' ' TYR . 31.0 tttt -127.04 145.89 50.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.844 ' HA ' HD23 ' A' ' 39' ' ' LEU . 0.4 OUTLIER -79.06 136.51 37.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 110.016 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.568 HG21 ' HG3' ' A' ' 40' ' ' GLN . 66.5 p -92.75 2.92 56.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 110.433 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.1 tp10 -104.37 -73.92 0.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 32.2 p -64.27 -57.45 9.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.422 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 115.25 27.51 3.12 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -109.03 158.75 17.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 0.766 . . . . 0.0 110.308 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.563 ' CE1' ' HE3' ' A' ' 52' ' ' LYS . 25.0 m-85 -103.98 146.97 27.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.971 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.555 HD23 HD12 ' A' ' 51' ' ' ILE . 6.8 tp -81.5 116.28 21.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.415 ' HB2' ' SG ' ' A' ' 78' ' ' CYS . . . -138.2 153.96 49.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 40.5 ttm -111.83 116.63 30.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.45 -161.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 54.6 p -85.21 -31.2 23.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 110.401 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -57.55 -18.33 18.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.48 -4.96 67.14 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.509 1.131 . . . . 0.0 110.961 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.26 162.69 16.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 0.731 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.681 HD11 HG13 ' A' ' 104' ' ' VAL . 5.5 mt -99.27 144.74 28.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.552 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 2.9 p90 -152.01 151.9 31.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -78.73 121.79 5.7 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.533 1.146 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.433 ' OG ' ' HB2' ' A' ' 59' ' ' TYR . 2.1 p -86.14 136.99 32.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 0.736 . . . . 0.0 110.042 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -68.14 -33.28 74.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.422 ' O ' ' OG ' ' A' ' 71' ' ' SER . 18.4 p -126.74 157.11 72.37 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.427 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 110.09 3.05 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.438 1.757 . . . . 0.0 111.008 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -125.65 157.55 36.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -46.36 -34.44 4.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 110.294 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -57.0 -27.39 61.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 110.262 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.415 ' SG ' ' HB2' ' A' ' 61' ' ' ALA . 37.1 m -80.39 -19.28 46.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 108.3 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.669 HD11 ' HB3' ' A' ' 48' ' ' GLU . 2.7 tp -86.58 119.93 27.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.411 ' HA ' ' O ' ' A' ' 93' ' ' ILE . 6.3 m-85 -115.72 164.45 14.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.578 HD21 ' HA ' ' A' ' 95' ' ' LYS . 0.3 OUTLIER -104.12 125.55 50.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -109.24 148.85 30.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.279 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.08 165.87 31.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.278 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -94.25 108.73 20.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.497 ' HG3' ' CG2' ' A' ' 91' ' ' THR . 2.5 mt-10 -99.43 155.7 17.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.168 . . . . 0.0 110.327 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -54.19 -173.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 110.295 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.2 m-20 55.45 20.23 3.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 2.6 t60 51.88 62.15 2.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.609 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.565 ' CD1' HD13 ' A' ' 128' ' ' LEU . 2.0 m-85 -142.44 163.95 31.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -115.3 161.99 17.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.497 ' CG2' ' HG3' ' A' ' 85' ' ' GLU . 1.4 p -131.46 165.82 22.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.422 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.429 ' CD1' ' O ' ' A' ' 91' ' ' THR . 39.5 m-85 -148.02 132.74 17.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.173 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.685 HD11 ' CE2' ' A' ' 103' ' ' PHE . 28.2 mt -134.87 147.0 29.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.54 138.41 44.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.033 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.578 ' HA ' HD21 ' A' ' 81' ' ' LEU . 12.5 tttp -62.9 -71.63 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.535 ' HB3' ' CD2' ' A' ' 97' ' ' HIS . 4.1 tttt -47.91 -30.0 3.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.545 ' CD2' ' N ' ' A' ' 97' ' ' HIS . 0.3 OUTLIER -118.91 58.33 0.85 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.596 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -98.55 -53.69 3.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.0 -23.46 19.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.539 ' HD3' ' CZ2' ' A' ' 102' ' ' TRP . 3.6 mtpt -76.08 -5.97 48.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 50.73 64.33 1.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.246 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.539 ' CZ2' ' HD3' ' A' ' 100' ' ' LYS . 47.5 m0 -112.54 131.53 55.55 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.685 ' CE2' HD11 ' A' ' 93' ' ' ILE . 80.6 m-85 -114.45 146.85 40.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 111.012 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.681 HG13 HD11 ' A' ' 68' ' ' LEU . 70.0 t -60.77 -94.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.571 ' HA2' ' CE1' ' A' ' 127' ' ' PHE . . . 54.56 167.22 0.03 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.524 1.14 . . . . 0.0 110.951 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.943 HD23 ' HA ' ' A' ' 112' ' ' CYS . 3.2 mt -137.38 133.67 35.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 0.767 . . . . 0.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 111' ' ' SER . 9.7 mtmt -51.49 -177.62 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.326 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.37 -6.37 58.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -91.77 16.08 11.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 65.36 30.69 78.26 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 107' ' ' LYS . 14.7 m -124.28 167.24 14.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 0.781 . . . . 0.0 110.05 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' CYS . . . . . 0.943 ' HA ' HD23 ' A' ' 106' ' ' LEU . 20.9 p -72.78 135.23 45.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 108.298 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.35 126.8 35.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.462 ' CB ' ' HG3' ' A' ' 117' ' ' ARG . 0.1 OUTLIER -38.34 144.46 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.456 ' C ' ' H ' ' A' ' 117' ' ' ARG . . . -64.89 -58.54 9.65 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.469 1.105 . . . . 0.0 110.997 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.415 ' HB3' ' NE1' ' A' ' 102' ' ' TRP . 18.2 Cg_endo -75.01 40.79 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.502 1.79 . . . . 0.0 110.967 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.462 ' HG3' ' CB ' ' A' ' 114' ' ' ARG . 7.2 mmt180 -143.61 19.1 1.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.317 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.7 p -114.9 163.07 16.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.361 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -167.49 176.35 6.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.669 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -81.95 124.23 29.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 111.06 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 122.76 -7.25 9.52 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.499 1.124 . . . . 0.0 111.068 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -91.72 149.4 21.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 0.0 110.309 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.555 ' HD3' HD12 ' A' ' 126' ' ' LEU . 0.1 OUTLIER -86.47 10.09 16.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -90.83 -44.85 9.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.426 ' O ' HG22 ' A' ' 91' ' ' THR . 1.2 pt -62.0 -35.86 70.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.555 HD12 ' HD3' ' A' ' 123' ' ' LYS . 16.2 mt -69.57 112.16 5.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.571 ' CE1' ' HA2' ' A' ' 105' ' ' GLY . 0.5 OUTLIER -124.45 144.76 49.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.999 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.565 HD13 ' CD1' ' A' ' 89' ' ' TYR . 4.9 tp -129.58 117.18 18.53 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' PRO . . . . . 0.467 ' HA ' ' O ' ' A' ' 8' ' ' LEU . 18.1 Cg_endo -75.05 107.97 2.61 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.506 1.793 . . . . 0.0 110.979 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.428 ' HA ' ' HD3' ' A' ' 131' ' ' PRO . 81.4 mt -88.21 133.19 37.4 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 130' ' ' LEU . 18.4 Cg_endo -74.99 134.01 17.31 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.507 1.793 . . . . 0.0 111.001 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 4.3 p -116.76 -4.78 11.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.257 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 134' ' ' SER . 0.1 OUTLIER -168.09 130.25 1.47 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.158 . . . . 0.0 109.972 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 133' ' ' SER . 2.0 m -39.41 158.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.982 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -157.74 147.33 20.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.89 ' C ' HD13 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -56.25 -179.44 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.258 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.762 ' N ' HD22 ' A' ' 136' ' ' LEU . 3.7 mt-10 -38.99 -86.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -153.29 -68.17 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.563 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 11.2 p-80 -166.79 151.99 7.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.621 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -60.84 163.2 5.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.608 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -125.82 176.57 6.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.587 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 33.2 p-80 -150.07 172.12 15.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.572 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.555 -179.979 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 CA-C-O 120.556 0.217 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -136.18 137.39 40.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 0.0 109.268 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -98.19 111.2 23.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 111.019 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 45.08 86.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.88 77.15 69.22 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 174.29 13.05 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.482 1.78 . . . . 0.0 110.975 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.413 ' CD ' ' HB2' ' A' ' 129' ' ' PRO . 0.1 OUTLIER -144.71 160.77 40.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.36 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.521 HD11 ' HB ' ' A' ' 132' ' ' VAL . 4.1 mt -121.94 141.46 51.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.2 mt -93.68 112.24 24.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.351 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.449 ' CB ' ' O ' ' A' ' 128' ' ' LEU . 36.5 t80 -86.58 148.26 25.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 110.995 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 15' ' ' GLY . 52.4 t -133.1 77.63 1.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 108.3 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 13' ' ' ASN . 10.9 t -38.18 -37.48 0.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.995 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.48 ' ND2' ' HB2' ' A' ' 124' ' ' ALA . 7.4 t30 -38.33 -43.41 0.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -131.98 -41.74 0.19 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.481 1.113 . . . . 0.0 110.995 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 11' ' ' CYS . . . 101.5 55.47 0.9 Allowed Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.571 ' CD2' ' HG2' ' A' ' 30' ' ' ARG . 12.4 m80 -130.56 167.21 19.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 0.0 109.618 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -111.82 141.85 44.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 111.008 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.742 ' CD1' HD21 ' A' ' 106' ' ' LEU . 13.5 tp -79.1 120.47 23.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.911 ' HB3' HG22 ' A' ' 37' ' ' ILE . 4.5 ptm180 -121.53 155.21 35.49 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.156 . . . . 0.0 110.308 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.756 HD11 ' HB2' ' A' ' 60' ' ' LEU . 25.3 mt -123.89 128.07 74.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.487 HD12 ' HB ' ' A' ' 25' ' ' THR . 18.6 mt -97.28 157.5 34.79 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.428 ' HB3' HG21 ' A' ' 56' ' ' THR . 18.3 Cg_endo -74.97 0.76 8.5 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.54 1.811 . . . . 0.0 110.969 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -100.96 10.12 41.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.58 45.55 44.96 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.429 1.081 . . . . 0.0 110.962 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.487 ' HB ' HD12 ' A' ' 21' ' ' LEU . 2.7 m -126.61 147.62 49.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 0.765 . . . . 0.0 110.426 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.7 t -135.25 121.45 32.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -145.37 162.42 37.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -88.89 145.7 18.81 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.484 1.115 . . . . 0.0 110.974 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.571 ' CG2' HG21 ' A' ' 37' ' ' ILE . 3.8 t -148.27 142.65 26.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 0.741 . . . . 0.0 110.378 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.571 ' HG2' ' CD2' ' A' ' 16' ' ' HIS . 3.9 ptt180 -115.82 44.53 1.89 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -134.3 90.28 2.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.7 -38.43 1.43 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.321 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.43 -33.54 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.988 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.706 ' OD2' HG23 ' A' ' 37' ' ' ILE . 44.9 t0 -43.64 133.01 4.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -106.56 56.01 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 110.314 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.709 ' NE2' HG23 ' A' ' 56' ' ' THR . 1.7 t-80 -164.49 -43.5 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.595 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.911 HG22 ' HB3' ' A' ' 19' ' ' ARG . 50.0 pt -41.53 -28.92 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.435 ' N ' ' C ' ' A' ' 36' ' ' HIS . 58.8 mt-30 -62.07 92.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 110.294 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 53' ' ' SER . 72.1 mt -104.61 147.19 27.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.462 ' HB2' ' CG2' ' A' ' 54' ' ' THR . 0.0 OUTLIER -105.53 116.86 32.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 110.243 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.77 136.05 33.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 50' ' ' TYR . 3.6 m -133.82 161.01 35.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 110.008 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -119.13 126.23 51.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 109.337 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.446 ' HG2' ' OG ' ' A' ' 45' ' ' SER . 0.6 OUTLIER -108.38 -45.8 3.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.278 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.446 ' OG ' ' HG2' ' A' ' 44' ' ' GLU . 0.9 OUTLIER -127.64 166.33 18.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.008 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.3 p -60.85 122.91 12.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.8 7.86 76.07 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.521 1.138 . . . . 0.0 111.032 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.743 ' HB3' HD11 ' A' ' 79' ' ' LEU . 14.7 mt-10 -114.82 134.62 54.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 0.774 . . . . 0.0 110.317 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.596 ' O ' HD12 ' A' ' 79' ' ' LEU . 24.9 m -132.11 159.45 43.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.418 ' N ' ' O ' ' A' ' 42' ' ' SER . 1.8 m-85 -127.51 131.79 50.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.962 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.7 mt -115.54 113.54 43.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.452 ' HD3' ' CE1' ' A' ' 59' ' ' TYR . 16.6 ttpt -130.72 151.1 51.53 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.451 ' HA ' HD23 ' A' ' 39' ' ' LEU . 0.6 OUTLIER -82.49 136.24 34.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.019 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.462 ' CG2' ' HB2' ' A' ' 40' ' ' GLN . 45.8 p -97.31 8.42 44.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.406 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.436 ' HB3' ' CE1' ' A' ' 36' ' ' HIS . 23.8 tp10 -101.4 -69.19 0.79 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.133 . . . . 0.0 110.338 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.709 HG23 ' NE2' ' A' ' 36' ' ' HIS . 80.4 p -84.29 -50.15 8.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.369 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 114.5 43.28 0.77 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.449 1.093 . . . . 0.0 110.979 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -116.74 137.76 51.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 0.788 . . . . 0.0 110.268 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.452 ' CE1' ' HD3' ' A' ' 52' ' ' LYS . 97.6 m-85 -84.67 142.3 29.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 111.01 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.756 ' HB2' HD11 ' A' ' 20' ' ' ILE . 1.3 tp -82.73 117.64 22.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.416 ' HB2' ' SG ' ' A' ' 78' ' ' CYS . . . -139.11 152.55 47.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 45.3 ttm -107.98 116.13 31.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 111.029 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.571 ' CG ' ' CE2' ' A' ' 69' ' ' TYR . 1.7 m-20 -69.39 -172.64 0.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 67.4 p -76.84 -20.45 56.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.377 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.429 ' CB ' HD22 ' A' ' 67' ' ' LEU . 61.7 m-20 -67.72 -12.22 60.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.95 -10.11 75.02 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.429 HD22 ' CB ' ' A' ' 65' ' ' ASP . 0.4 OUTLIER -87.19 168.38 13.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 0.777 . . . . 0.0 109.322 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.63 HD11 HG13 ' A' ' 104' ' ' VAL . 2.0 mt -103.22 144.71 30.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.571 ' CE2' ' CG ' ' A' ' 63' ' ' ASP . 4.2 p90 -145.03 156.04 43.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 111.045 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -78.73 111.73 3.31 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.511 1.132 . . . . 0.0 110.978 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.02 117.98 25.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 0.756 . . . . 0.0 109.967 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -54.53 -57.71 10.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.9 p -100.96 157.02 34.45 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.363 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 116.56 4.62 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.462 1.769 . . . . 0.0 110.983 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 -126.78 157.42 39.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -47.77 -28.76 2.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.295 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.47 ' O ' ' CE1' ' A' ' 80' ' ' PHE . 39.8 mt-10 -63.89 -31.37 72.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.339 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.416 ' SG ' ' HB2' ' A' ' 61' ' ' ALA . 57.5 m -73.93 -16.97 61.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 108.321 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.743 HD11 ' HB3' ' A' ' 48' ' ' GLU . 6.7 tp -89.17 124.2 34.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.345 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.535 ' C ' HD13 ' A' ' 81' ' ' LEU . 17.0 m-85 -124.11 165.4 17.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 110.992 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.535 HD13 ' C ' ' A' ' 80' ' ' PHE . 0.4 OUTLIER -103.6 125.74 50.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.82 147.57 31.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.54 165.02 34.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.732 HD13 ' O ' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -92.69 115.11 27.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.628 ' HG3' HG23 ' A' ' 91' ' ' THR . 1.2 mt-10 -104.67 145.21 30.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -52.0 -179.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 62.6 m-20 60.74 15.5 5.9 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.536 1.147 . . . . 0.0 109.271 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER 60.66 60.24 1.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.591 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.736 ' CE1' HD12 ' A' ' 128' ' ' LEU . 14.2 m-85 -141.87 158.29 43.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -122.95 153.03 40.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.333 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.628 HG23 ' HG3' ' A' ' 85' ' ' GLU . 21.0 p -125.86 155.32 41.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.425 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -134.87 132.67 38.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.602 HD11 ' CE2' ' A' ' 103' ' ' PHE . 50.0 mt -130.02 138.12 54.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.2 t -67.75 138.21 56.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.437 1.086 . . . . 0.0 110.025 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.43 ' C ' ' N ' ' A' ' 97' ' ' HIS . 11.5 tttm -63.86 -74.71 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.9 mttt -40.9 -29.64 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.43 ' N ' ' C ' ' A' ' 95' ' ' LYS . 0.1 OUTLIER -122.71 57.74 1.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.62 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -91.52 -43.22 9.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -67.62 -16.56 64.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.328 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.565 ' HD2' ' CZ2' ' A' ' 102' ' ' TRP . 13.1 mttt -78.09 -7.15 56.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 49.31 64.23 1.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.163 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.565 ' CZ2' ' HD2' ' A' ' 100' ' ' LYS . 49.0 m0 -112.55 131.69 55.48 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.602 ' CE2' HD11 ' A' ' 93' ' ' ILE . 86.9 m-85 -116.71 148.16 41.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 110.984 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.63 HG13 HD11 ' A' ' 68' ' ' LEU . 19.8 t -87.03 108.37 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.567 ' HA2' ' CE1' ' A' ' 127' ' ' PHE . . . -146.2 152.1 24.25 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.503 1.127 . . . . 0.0 110.958 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.8 HD23 ' HA ' ' A' ' 112' ' ' CYS . 10.3 mt -118.29 159.6 23.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 0.761 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.99 -177.43 4.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -67.75 -25.46 65.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 17.8 t30 -84.73 9.51 13.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 109.274 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 63.02 41.18 99.93 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.475 1.11 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.442 ' O ' ' HA ' ' A' ' 106' ' ' LEU . 0.7 OUTLIER -115.96 143.8 44.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.433 0.725 . . . . 0.0 109.97 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 112' ' ' CYS . . . . . 0.8 ' HA ' HD23 ' A' ' 106' ' ' LEU . 6.9 p -65.91 134.47 53.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 108.277 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 114' ' ' ARG . 1.4 ttmm -90.89 129.78 36.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.466 ' CB ' ' HG3' ' A' ' 117' ' ' ARG . 0.0 OUTLIER -38.27 124.91 1.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.306 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.58 ' N ' ' CD ' ' A' ' 116' ' ' PRO . . . -54.4 -46.34 72.91 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.482 1.114 . . . . 0.0 110.964 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.58 ' CD ' ' N ' ' A' ' 115' ' ' GLY . 18.1 Cg_endo -75.02 5.44 3.99 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.528 1.804 . . . . 0.0 110.988 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.466 ' HG3' ' CB ' ' A' ' 114' ' ' ARG . 3.4 mmm180 -116.04 39.8 2.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.274 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 19.3 p -125.48 166.54 16.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 110.422 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.691 ' O ' HD13 ' A' ' 125' ' ' ILE . 0.2 OUTLIER -175.06 177.12 2.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.613 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -86.21 136.15 33.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 0.0 110.962 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 111.44 -11.04 28.41 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -86.48 154.83 20.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.779 . . . . 0.0 110.305 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 5.4 tppt? -93.81 14.1 20.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.48 ' HB2' ' ND2' ' A' ' 13' ' ' ASN . . . -95.73 -52.05 4.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.691 HD13 ' O ' ' A' ' 119' ' ' HIS . 2.7 pt -59.54 -33.72 52.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.342 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 96.3 mt -64.45 100.9 0.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.567 ' CE1' ' HA2' ' A' ' 105' ' ' GLY . 1.1 m-30 -112.72 132.99 54.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.976 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.77 HD23 ' HD2' ' A' ' 129' ' ' PRO . 0.8 OUTLIER -114.1 118.91 41.61 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 129' ' ' PRO . . . . . 0.77 ' HD2' HD23 ' A' ' 128' ' ' LEU . 18.2 Cg_endo -75.05 114.18 3.96 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.512 1.796 . . . . 0.0 110.991 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 131' ' ' PRO . 80.5 mt -102.67 131.67 22.1 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.334 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 130' ' ' LEU . 18.5 Cg_endo -74.95 148.21 35.21 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.507 1.793 . . . . 0.0 111.033 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.521 ' HB ' HD11 ' A' ' 8' ' ' LEU . 9.8 p -143.64 163.34 15.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.3 t 63.73 179.95 0.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.011 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.68 162.83 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.956 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -136.24 127.64 28.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 109.332 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.23 174.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.097 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 68.38 76.83 0.25 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -160.96 151.84 18.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.648 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 64.22 168.28 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.541 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -101.64 136.79 40.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.577 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -100.42 -173.04 2.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.564 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 1.6 m170 59.89 113.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.563 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 3.3 m170 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.632 179.951 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 ttt . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.534 0.207 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -140.54 117.98 11.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 32.5 p90 -144.33 118.62 9.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -122.64 47.81 1.88 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -111.49 152.13 43.75 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.823 ' O ' HG12 ' A' ' 132' ' ' VAL . 18.3 Cg_endo -75.03 134.14 17.4 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.509 1.794 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.5 ' CG ' ' O ' ' A' ' 130' ' ' LEU . 0.0 OUTLIER -144.7 168.18 20.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.556 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -106.65 147.96 28.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 73.6 mt -92.94 104.33 16.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -86.19 109.01 18.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 15' ' ' GLY . 43.1 t -87.6 79.95 8.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 0.0 108.307 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 11' ' ' CYS . 3.5 p -36.55 -34.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.002 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 11' ' ' CYS . 28.7 t30 -42.61 -53.01 4.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -120.92 -35.93 0.8 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.47 1.106 . . . . 0.0 111.014 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 11' ' ' CYS . . . 95.49 78.52 1.42 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.452 ' ND1' ' C ' ' A' ' 15' ' ' GLY . 52.4 m80 -155.81 168.79 26.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.75 . . . . 0.0 109.609 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.556 ' CD1' ' HB3' ' A' ' 8' ' ' LEU . 18.0 m-85 -111.43 143.79 41.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.759 HD12 HD21 ' A' ' 106' ' ' LEU . 10.5 tp -76.83 116.07 17.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.788 ' HB2' HG22 ' A' ' 37' ' ' ILE . 25.3 ttp180 -109.3 144.21 37.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.329 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.488 HG22 ' NE2' ' A' ' 58' ' ' GLN . 11.5 mt -124.81 104.38 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.505 HD12 ' HB ' ' A' ' 25' ' ' THR . 18.6 mt -76.92 157.03 82.14 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -1.78 11.68 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.505 1.792 . . . . 0.0 111.0 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.93 7.8 44.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.94 37.7 37.83 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.542 1.152 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.505 ' HB ' HD12 ' A' ' 21' ' ' LEU . 3.5 m -117.01 146.36 43.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 0.789 . . . . 0.0 110.359 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 19' ' ' ARG . 2.7 t -135.13 115.21 18.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -148.25 160.82 42.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -78.07 151.07 36.47 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.529 1.143 . . . . 0.0 111.004 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.696 ' CG2' HG21 ' A' ' 37' ' ' ILE . 7.0 t -156.94 116.04 3.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 0.77 . . . . 0.0 110.409 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.9 ttt-85 -92.81 50.12 1.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -132.55 92.85 3.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.22 -22.53 6.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.133 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.18 -30.82 62.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.005 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.452 ' OD2' ' NH1' ' A' ' 19' ' ' ARG . 0.4 OUTLIER -65.85 128.44 36.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -98.12 9.67 42.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.427 1.08 . . . . 0.0 110.321 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.621 ' CE1' ' HG2' ' A' ' 55' ' ' GLU . 13.6 m-70 -96.66 -29.81 13.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.573 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.788 HG22 ' HB2' ' A' ' 19' ' ' ARG . 17.6 pt -64.8 -21.49 29.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.423 ' HG2' HG11 ' A' ' 132' ' ' VAL . 11.4 mt-30 -60.66 81.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.596 HD13 HG22 ' A' ' 51' ' ' ILE . 17.2 mt -86.87 146.99 25.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.345 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.471 ' HB2' ' CG2' ' A' ' 54' ' ' THR . 0.0 OUTLIER -105.63 115.88 30.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 110.342 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.44 136.45 33.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.9 m -136.25 155.85 49.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.979 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -119.91 128.71 53.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.447 ' CD ' ' N ' ' A' ' 44' ' ' GLU . 3.2 mm-40 -109.05 -54.34 2.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 110.319 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -129.3 165.8 20.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 110.01 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 77.2 t -61.98 115.13 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.412 ' O ' ' HA ' ' A' ' 81' ' ' LEU . . . 88.47 16.22 59.05 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.547 1.154 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.482 ' OE1' HD21 ' A' ' 79' ' ' LEU . 15.8 mt-10 -128.56 136.86 51.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 0.738 . . . . 0.0 110.284 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.558 ' O ' HD12 ' A' ' 79' ' ' LEU . 10.3 m -145.01 150.92 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.576 ' CE1' ' HB2' ' A' ' 79' ' ' LEU . 1.6 m-85 -117.3 144.49 44.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.596 HG22 HD13 ' A' ' 39' ' ' LEU . 6.5 mt -126.2 107.93 18.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.55 ' HG3' ' CD1' ' A' ' 59' ' ' TYR . 17.6 tttt -129.33 146.72 51.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.47 ' HA ' HD23 ' A' ' 39' ' ' LEU . 0.4 OUTLIER -80.77 137.39 36.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.026 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.471 ' CG2' ' HB2' ' A' ' 40' ' ' GLN . 63.8 p -90.82 -10.89 41.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.419 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.621 ' HG2' ' CE1' ' A' ' 36' ' ' HIS . 3.3 tp10 -86.3 -76.28 0.35 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.088 . . . . 0.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 28.7 p -68.33 -53.28 25.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.43 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 108.82 45.3 1.05 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.49 1.119 . . . . 0.0 110.979 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.488 ' NE2' HG22 ' A' ' 20' ' ' ILE . 5.3 mt-30 -119.76 153.94 34.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 0.791 . . . . 0.0 110.289 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.55 ' CD1' ' HG3' ' A' ' 52' ' ' LYS . 58.9 m-85 -99.05 135.97 39.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 111.007 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.0 tp -76.96 119.97 21.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.587 ' HB2' ' SG ' ' A' ' 78' ' ' CYS . . . -140.31 151.36 44.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 31.6 ttm -106.38 116.14 31.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.06 -165.57 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 12.6 p -86.01 -7.52 58.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.418 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.461 ' HB3' ' CD1' ' A' ' 67' ' ' LEU . 0.8 OUTLIER -84.62 -6.02 59.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.284 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.442 ' HA3' ' CD ' ' A' ' 116' ' ' PRO . . . 82.29 1.78 90.47 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' A' ' 65' ' ' ASP . 4.4 mp -91.39 168.02 11.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 0.756 . . . . 0.0 109.347 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.905 HD11 HG13 ' A' ' 104' ' ' VAL . 9.4 mt -106.96 132.45 52.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.565 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 2.2 p90 -142.85 150.98 40.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 111.033 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -82.69 124.9 6.7 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.506 1.129 . . . . 0.0 110.96 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.6 t -91.24 140.16 30.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 0.777 . . . . 0.0 109.958 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -63.2 -38.2 90.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.262 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.3 p -122.87 160.48 49.0 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.415 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 114.71 4.09 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.497 1.788 . . . . 0.0 111.024 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -125.66 157.36 37.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.432 1.083 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -49.39 -32.45 11.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.414 ' CG ' ' HD2' ' A' ' 96' ' ' LYS . 41.5 mt-10 -62.97 -22.02 66.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.587 ' SG ' ' HB2' ' A' ' 61' ' ' ALA . 66.6 m -83.23 -22.57 33.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.418 1.074 . . . . 0.0 108.288 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.576 ' HB2' ' CE1' ' A' ' 50' ' ' TYR . 49.1 tp -85.79 127.01 34.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.445 ' C ' HD13 ' A' ' 81' ' ' LEU . 5.8 m-85 -120.68 166.1 14.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.732 HD21 ' HA ' ' A' ' 95' ' ' LYS . 0.5 OUTLIER -102.74 122.91 45.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.433 ' HG2' ' N ' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -109.0 146.48 33.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 110.308 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.433 ' N ' ' HG2' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -151.74 149.79 29.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.258 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -92.06 107.34 19.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.925 ' OE2' HD22 ' A' ' 126' ' ' LEU . 2.6 pp20? -109.16 159.72 16.67 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' A' ' 85' ' ' GLU . 21.0 mt-10 -50.56 -178.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.288 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 73.81 3.4 4.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.256 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 5.3 t60 58.57 52.47 6.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.599 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.518 ' CE1' HD22 ' A' ' 128' ' ' LEU . 3.6 m-85 -144.74 161.26 39.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.99 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -115.93 153.76 31.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.536 HG22 ' O ' ' A' ' 125' ' ' ILE . 0.9 OUTLIER -125.27 158.94 32.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.429 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -139.57 132.84 29.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.969 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.653 HD11 ' CE1' ' A' ' 103' ' ' PHE . 39.3 mt -135.8 138.28 47.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.3 t -59.08 143.34 48.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.037 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.732 ' HA ' HD21 ' A' ' 81' ' ' LEU . 1.4 tttm -78.89 -56.16 4.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.414 ' HD2' ' CG ' ' A' ' 77' ' ' GLU . 0.9 OUTLIER -43.54 -27.43 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.668 ' CE1' ' CZ3' ' A' ' 102' ' ' TRP . 30.8 m-70 -103.58 -93.13 0.34 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.587 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 97' ' ' HIS . . . 69.17 -62.68 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 97' ' ' HIS . 7.7 mt-10 -62.85 -13.15 30.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.334 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.551 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 8.5 mttm -90.23 -3.05 58.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 43.86 64.95 1.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.668 ' CZ3' ' CE1' ' A' ' 97' ' ' HIS . 45.3 m0 -111.9 131.63 55.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 108.042 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.653 ' CE1' HD11 ' A' ' 93' ' ' ILE . 94.9 m-85 -114.08 148.88 36.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 0.0 111.014 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.905 HG13 HD11 ' A' ' 68' ' ' LEU . 77.6 t -72.45 -91.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.446 ' N ' HG12 ' A' ' 104' ' ' VAL . . . 50.02 175.28 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.447 1.092 . . . . 0.0 111.007 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.987 HD23 ' HA ' ' A' ' 112' ' ' CYS . 6.4 mt -138.32 131.61 30.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.772 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 111' ' ' SER . 2.3 mtmp? -52.93 -174.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.66 -9.23 52.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -88.99 15.05 9.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 67.36 25.69 73.63 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.472 ' O ' ' N ' ' A' ' 107' ' ' LYS . 0.6 OUTLIER -119.46 166.81 12.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 0.0 110.021 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 112' ' ' CYS . . . . . 0.987 ' HA ' HD23 ' A' ' 106' ' ' LEU . 19.5 p -74.2 135.35 42.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 108.308 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.755 ' HD3' HG22 ' A' ' 118' ' ' THR . 1.6 ttmp? -90.25 117.16 28.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 113' ' ' LYS . 2.2 mpp_? -36.77 149.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.312 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.524 ' N ' ' CD ' ' A' ' 116' ' ' PRO . . . -70.13 -49.71 32.14 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.496 1.123 . . . . 0.0 110.946 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 115' ' ' GLY . 18.1 Cg_endo -75.05 4.32 4.87 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.57 1.826 . . . . 0.0 110.948 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 4.1 mmt-85 -112.78 23.48 13.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.313 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.755 HG22 ' HD3' ' A' ' 113' ' ' LYS . 1.7 p -131.07 152.78 50.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.404 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -151.91 -169.84 3.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.649 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -91.13 123.07 34.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 127.51 -6.92 7.06 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.522 1.139 . . . . 0.0 111.024 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -91.1 157.62 17.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 0.74 . . . . 0.0 110.341 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.409 ' HG2' ' N ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -95.95 13.54 26.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -91.4 -55.62 3.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.584 HG22 ' CB ' ' A' ' 103' ' ' PHE . 3.6 pt -48.81 -31.37 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.925 HD22 ' OE2' ' A' ' 85' ' ' GLU . 14.1 mt -73.04 131.02 41.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -138.93 150.71 46.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.518 HD22 ' CE1' ' A' ' 89' ' ' TYR . 5.9 tp -133.71 115.25 13.38 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' PRO . . . . . 0.44 ' HA ' ' O ' ' A' ' 8' ' ' LEU . 18.3 Cg_endo -74.98 124.56 8.73 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.438 1.757 . . . . 0.0 111.003 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.5 ' O ' ' CG ' ' A' ' 7' ' ' LYS . 4.0 mm? -99.12 142.51 24.74 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 116.65 4.64 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.476 1.777 . . . . 0.0 110.965 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.823 HG12 ' O ' ' A' ' 6' ' ' PRO . 2.5 p -114.62 -1.36 9.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.3 t -164.51 79.69 0.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.009 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.5 179.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.125 . . . . 0.0 110.014 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -134.33 121.36 21.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -112.29 -31.62 6.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -59.82 105.24 0.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 110.296 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -166.49 173.77 9.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.087 . . . . 0.0 109.593 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 76.04 -66.11 0.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.631 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 11.1 t-160 -68.99 78.8 0.32 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 109.648 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.449 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 17.5 t60 -179.52 65.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.577 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -111.07 169.98 8.41 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.503 1.127 . . . . 0.0 109.578 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.601 179.987 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.533 0.206 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -104.35 118.0 35.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 109.338 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -94.11 90.34 6.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.5 90.65 8.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.405 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -156.34 141.91 12.66 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 109.266 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.46 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 18.4 Cg_endo -74.98 142.34 27.8 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.49 1.784 . . . . 0.0 111.032 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.426 ' C ' HD13 ' A' ' 8' ' ' LEU . 0.5 OUTLIER -144.97 158.43 43.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.29 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.656 HD21 ' HB ' ' A' ' 132' ' ' VAL . 0.2 OUTLIER -103.17 143.85 32.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.558 ' HB3' ' CD2' ' A' ' 127' ' ' PHE . 2.1 mp -91.5 104.44 16.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.474 ' HB2' ' CD2' ' A' ' 130' ' ' LEU . 20.8 t80 -74.62 151.73 39.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.975 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 12' ' ' SER . 39.3 t -135.51 70.13 1.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 108.31 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.46 ' C ' ' O ' ' A' ' 11' ' ' CYS . 17.2 t -34.81 -36.5 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.985 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.497 ' O ' ' CG ' ' A' ' 108' ' ' LYS . 29.4 t30 -41.8 -48.24 4.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.135 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 11' ' ' CYS . . . -125.77 -38.3 0.48 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.515 1.134 . . . . 0.0 111.017 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.549 ' O ' ' CG ' ' A' ' 16' ' ' HIS . . . 97.04 79.14 1.45 Allowed Glycine 0 CA--C 1.529 0.931 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.549 ' CG ' ' O ' ' A' ' 15' ' ' GLY . 66.2 m80 -162.7 153.64 17.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 0.749 . . . . 0.0 109.628 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.504 ' CG ' ' HB3' ' A' ' 8' ' ' LEU . 23.2 m-30 -101.15 142.54 32.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.147 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.891 ' CD1' HD21 ' A' ' 106' ' ' LEU . 12.3 tp -78.71 114.79 17.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.696 ' HB3' HG22 ' A' ' 37' ' ' ILE . 1.7 ptp180 -112.83 154.26 26.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.324 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.59 HD11 ' HB2' ' A' ' 60' ' ' LEU . 47.2 mt -124.43 117.04 49.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.488 HD21 ' HD2' ' A' ' 19' ' ' ARG . 22.4 mt -89.48 157.42 47.17 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 0.26 9.13 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.538 1.809 . . . . 0.0 111.008 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.37 11.46 39.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 70.27 47.45 44.11 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.452 1.095 . . . . 0.0 110.972 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.469 ' CG2' HD12 ' A' ' 21' ' ' LEU . 1.2 m -125.78 142.54 51.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 0.0 110.4 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.4 t -135.38 115.92 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.66 162.15 40.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -80.22 150.32 31.82 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.548 1.155 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.478 ' CG2' HG21 ' A' ' 37' ' ' ILE . 2.6 t -160.8 136.12 7.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 0.784 . . . . 0.0 110.343 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.15 41.14 3.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 110.269 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 33' ' ' SER . 24.6 t0 -93.44 -6.26 47.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.35 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 31' ' ' ASP . 13.0 mtm180 36.8 32.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 31' ' ' ASP . 0.3 OUTLIER -129.24 -44.12 1.28 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.961 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.24 123.64 3.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -82.79 53.38 2.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 110.287 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.439 ' C ' ' N ' ' A' ' 38' ' ' GLN . 38.3 m80 -145.65 -46.9 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.618 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.696 HG22 ' HB3' ' A' ' 19' ' ' ARG . 33.3 pt -41.63 -28.56 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.338 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.439 ' N ' ' C ' ' A' ' 36' ' ' HIS . 82.4 mt-30 -59.1 82.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.285 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.46 ' O ' ' HA ' ' A' ' 6' ' ' PRO . 18.2 mt -95.39 146.33 24.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -106.85 114.65 28.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 110.258 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -88.45 136.06 33.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.71 161.07 36.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.984 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -123.42 126.16 46.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.567 1.167 . . . . 0.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.433 ' HG2' ' OG ' ' A' ' 45' ' ' SER . 0.4 OUTLIER -110.38 -42.98 3.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 0.0 110.287 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.433 ' OG ' ' HG2' ' A' ' 44' ' ' GLU . 0.9 OUTLIER -128.54 165.9 19.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.057 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 11.0 p -66.14 119.14 10.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.63 2.15 89.98 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.459 1.1 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.621 ' HB3' HD11 ' A' ' 79' ' ' LEU . 32.9 mt-10 -114.29 138.42 50.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 0.758 . . . . 0.0 110.314 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.453 ' O ' HD12 ' A' ' 79' ' ' LEU . 34.0 m -134.81 155.65 38.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.762 ' CE2' HD13 ' A' ' 79' ' ' LEU . 4.8 m-85 -125.8 131.62 52.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.405 HG22 HD13 ' A' ' 39' ' ' LEU . 2.2 mt -114.69 119.56 61.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.402 ' HE3' ' CE1' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -135.57 144.88 46.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.411 ' HA ' HD23 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -80.4 135.23 36.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.009 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.1 p -90.49 -13.69 34.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.398 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -80.36 -69.54 0.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.27 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 56.0 p -79.35 -62.01 1.83 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.398 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 120.3 47.7 0.33 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.423 1.077 . . . . 0.0 111.03 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.422 ' NE2' HG22 ' A' ' 20' ' ' ILE . 5.6 mt-30 -122.93 137.83 54.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 0.783 . . . . 0.0 110.279 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.402 ' CE1' ' HE3' ' A' ' 52' ' ' LYS . 90.8 m-85 -84.5 139.8 31.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.59 ' HB2' HD11 ' A' ' 20' ' ' ILE . 8.8 tp -77.32 118.77 20.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.487 ' HB2' ' SG ' ' A' ' 78' ' ' CYS . . . -140.55 155.49 46.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 40.3 ttm -113.2 116.11 29.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.22 -164.62 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 69.8 p -85.73 -20.5 29.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.409 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.597 ' CB ' HD12 ' A' ' 67' ' ' LEU . 6.1 m-20 -69.9 -8.56 49.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 84.55 -0.95 89.2 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.489 1.118 . . . . 0.0 110.963 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.597 HD12 ' CB ' ' A' ' 65' ' ' ASP . 4.1 mp -87.66 173.51 8.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 0.776 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.444 HD21 HG22 ' A' ' 104' ' ' VAL . 10.0 mt -110.93 137.67 48.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.56 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 2.1 p90 -149.29 163.13 38.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -94.12 123.91 7.67 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.554 1.159 . . . . 0.0 111.025 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 10.4 t -86.21 140.11 30.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 0.774 . . . . 0.0 109.989 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.26 -40.0 80.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.266 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.1 p -126.65 164.5 34.19 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.419 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 103.5 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.557 1.819 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -113.46 157.74 21.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.69 -24.24 2.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.303 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -67.33 -16.08 64.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 110.304 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.487 ' SG ' ' HB2' ' A' ' 61' ' ' ALA . 73.8 m -89.62 -14.27 35.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 108.305 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.762 HD13 ' CE2' ' A' ' 50' ' ' TYR . 3.7 tp -86.7 126.71 34.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.441 ' C ' HD13 ' A' ' 81' ' ' LEU . 12.3 m-85 -126.8 165.55 19.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.424 1.078 . . . . 0.0 111.021 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.47 ' CD1' ' HG2' ' A' ' 48' ' ' GLU . 0.7 OUTLIER -103.4 124.25 48.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.441 ' OE2' ' N ' ' A' ' 83' ' ' ARG . 2.8 tm-20 -108.7 150.27 27.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.293 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.441 ' N ' ' OE2' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -153.95 150.0 27.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.522 HD23 ' O ' ' A' ' 85' ' ' GLU . 5.1 tt -91.9 128.15 37.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.522 ' O ' HD23 ' A' ' 84' ' ' LEU . 36.0 mm-40 -97.79 158.36 15.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -82.27 50.58 1.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 110.285 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -159.95 27.45 0.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 22.5 t-160 52.42 48.61 22.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.549 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.503 ' CG ' ' HB3' ' A' ' 126' ' ' LEU . 2.2 m-85 -144.28 143.15 30.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -111.22 150.77 29.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.248 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.512 HG22 ' O ' ' A' ' 125' ' ' ILE . 34.4 p -127.44 164.64 21.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.405 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -144.82 133.38 22.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 111.015 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.537 HD11 ' CE2' ' A' ' 103' ' ' PHE . 59.9 mt -132.2 133.73 60.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.7 t -59.54 140.03 56.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.008 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.88 -68.48 0.38 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.551 ' HB3' ' CD2' ' A' ' 97' ' ' HIS . 0.0 OUTLIER -47.06 -28.95 1.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.553 ' CD2' ' N ' ' A' ' 97' ' ' HIS . 0.2 OUTLIER -121.99 53.61 1.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.563 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -92.93 -35.86 13.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.54 -10.29 59.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.273 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.506 ' HD2' ' CZ2' ' A' ' 102' ' ' TRP . 30.6 mttt -90.06 -5.34 56.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 51.77 64.68 1.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.506 ' CZ2' ' HD2' ' A' ' 100' ' ' LYS . 46.2 m0 -112.28 131.58 55.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 108.021 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.578 ' CD2' ' HB ' ' A' ' 125' ' ' ILE . 70.0 m-85 -114.13 148.84 36.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.484 ' O ' ' C ' ' A' ' 105' ' ' GLY . 37.9 t -72.59 -20.59 19.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.57 ' HA2' ' CE1' ' A' ' 127' ' ' PHE . . . -30.61 145.61 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.891 HD21 ' CD1' ' A' ' 18' ' ' LEU . 1.2 mt -107.02 160.34 15.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 0.765 . . . . 0.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 111' ' ' SER . 7.8 mmmt -63.96 -157.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.497 ' CG ' ' O ' ' A' ' 13' ' ' ASN . 0.6 OUTLIER -117.74 -6.26 11.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 14.8 m-20 -96.31 13.41 27.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 77.18 40.51 24.24 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.499 1.125 . . . . 0.0 111.03 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 107' ' ' LYS . 0.6 OUTLIER -137.83 162.62 33.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 0.778 . . . . 0.0 109.989 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 112' ' ' CYS . . . . . 0.755 ' HA ' HD23 ' A' ' 106' ' ' LEU . 26.1 p -78.09 135.05 37.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 108.296 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.632 ' HD3' HG22 ' A' ' 118' ' ' THR . 0.4 OUTLIER -90.94 119.03 30.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -38.44 137.93 0.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.33 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.477 ' C ' ' H ' ' A' ' 117' ' ' ARG . . . -52.75 -56.32 18.82 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.495 1.122 . . . . 0.0 111.033 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.416 ' O ' ' HG2' ' A' ' 117' ' ' ARG . 18.1 Cg_endo -75.0 38.13 0.51 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.496 1.787 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.477 ' H ' ' C ' ' A' ' 115' ' ' GLY . 5.1 mtm180 -144.65 18.01 1.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.297 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.632 HG22 ' HD3' ' A' ' 113' ' ' LYS . 3.1 p -117.04 161.35 19.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.371 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.548 ' O ' HD13 ' A' ' 125' ' ' ILE . 2.5 m-70 -166.07 -170.97 1.86 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.617 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -92.49 136.88 32.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 111.023 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 113.46 -5.26 24.8 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -97.81 152.06 19.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 0.772 . . . . 0.0 110.292 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.796 ' HD3' HD12 ' A' ' 126' ' ' LEU . 8.2 tppt? -90.16 5.29 47.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.254 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.4 ' HB2' ' ND2' ' A' ' 13' ' ' ASN . . . -83.86 -44.37 14.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.578 ' HB ' ' CD2' ' A' ' 103' ' ' PHE . 4.0 pt -64.21 -35.99 75.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.796 HD12 ' HD3' ' A' ' 123' ' ' LYS . 73.8 mt -66.19 107.14 1.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.57 ' CE1' ' HA2' ' A' ' 105' ' ' GLY . 1.6 m-30 -118.64 130.54 55.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 111.002 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.825 HD23 ' HD2' ' A' ' 129' ' ' PRO . 0.7 OUTLIER -114.07 118.75 41.9 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 129' ' ' PRO . . . . . 0.825 ' HD2' HD23 ' A' ' 128' ' ' LEU . 18.2 Cg_endo -74.96 120.89 6.27 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.55 1.816 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.501 ' CD2' ' O ' ' A' ' 128' ' ' LEU . 3.8 mm? -101.91 142.77 25.26 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 130' ' ' LEU . 18.2 Cg_endo -75.07 139.52 24.21 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.48 1.779 . . . . 0.0 110.988 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.656 ' HB ' HD21 ' A' ' 8' ' ' LEU . 1.4 p -141.15 147.97 21.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 2.8 t 57.13 109.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.98 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 22.2 p -124.17 154.98 39.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.992 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -163.94 -43.33 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -105.79 -79.4 0.56 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 52.84 91.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.273 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -171.78 101.96 0.18 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.61 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -129.24 156.4 44.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.629 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 4.7 m80 -134.62 174.35 10.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.138 . . . . 0.0 109.591 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -143.63 163.16 34.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.592 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -81.42 172.46 13.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.58 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.592 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.526 0.203 . . . . 0.0 110.954 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -142.88 116.61 9.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -59.23 118.34 5.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -170.72 168.16 7.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 76.11 78.71 0.15 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.405 ' O ' HG12 ' A' ' 132' ' ' VAL . 18.3 Cg_endo -74.96 -179.91 5.44 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.498 1.789 . . . . 0.0 111.046 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.36 161.38 39.77 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.468 ' O ' ' HA ' ' A' ' 129' ' ' PRO . 0.7 OUTLIER -120.59 137.06 54.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.696 HD21 HD11 ' A' ' 41' ' ' LEU . 3.5 mm? -91.14 110.32 21.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.478 ' CZ ' ' HA ' ' A' ' 12' ' ' SER . 12.7 t80 -85.14 127.3 34.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.991 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 13' ' ' ASN . 16.8 t -109.43 74.03 0.88 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 108.328 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.478 ' HA ' ' CZ ' ' A' ' 10' ' ' TYR . 45.9 t -38.11 -31.12 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.105 . . . . 0.0 110.021 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 11' ' ' CYS . 54.9 t30 -40.71 -65.87 0.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.142 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -115.1 -18.81 6.15 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.534 1.146 . . . . 0.0 110.982 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 84.66 70.75 1.33 Allowed Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 43.6 m80 -148.61 152.69 37.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 0.753 . . . . 0.0 109.578 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.427 ' HE1' HD12 ' A' ' 130' ' ' LEU . 19.2 m-85 -100.55 141.96 32.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 111.02 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 1.039 HD12 HD21 ' A' ' 106' ' ' LEU . 10.0 tp -78.48 118.23 20.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.887 ' HB3' HG22 ' A' ' 37' ' ' ILE . 3.3 ptm180 -120.43 153.94 35.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.559 HD11 ' HB2' ' A' ' 60' ' ' LEU . 34.6 mt -124.63 112.96 34.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.337 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.55 HD12 ' HB ' ' A' ' 25' ' ' THR . 26.9 mt -78.33 157.65 77.64 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.495 ' HB3' HG22 ' A' ' 56' ' ' THR . 18.3 Cg_endo -75.04 -8.47 20.05 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.531 1.806 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -90.53 8.17 35.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.86 43.04 29.04 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.517 1.136 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.55 ' HB ' HD12 ' A' ' 21' ' ' LEU . 4.8 m -123.0 147.71 46.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 0.771 . . . . 0.0 110.405 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.5 t -131.2 118.32 40.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.11 . . . . 0.0 109.328 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -147.6 160.39 42.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.94 155.41 33.16 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.451 1.094 . . . . 0.0 111.003 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.673 ' CG2' HG21 ' A' ' 37' ' ' ILE . 1.5 t -161.04 143.98 12.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.768 . . . . 0.0 110.374 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 21.0 ptt-85 -125.13 13.06 8.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.302 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.516 ' O ' ' N ' ' A' ' 33' ' ' SER . 2.0 t0 -68.82 -21.45 64.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.461 ' O ' ' N ' ' A' ' 34' ' ' ASP . 5.3 mtm180 66.22 -61.2 0.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.576 1.173 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.516 ' N ' ' O ' ' A' ' 31' ' ' ASP . 0.3 OUTLIER -38.5 -30.13 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.013 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 32' ' ' ARG . 0.2 OUTLIER -43.03 120.02 1.68 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.325 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -92.92 41.18 1.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.241 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.468 ' N ' ' ND1' ' A' ' 36' ' ' HIS . 0.0 OUTLIER -140.04 -46.73 0.44 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.611 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.887 HG22 ' HB3' ' A' ' 19' ' ' ARG . 26.8 pt -39.46 -32.78 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.412 ' N ' ' C ' ' A' ' 36' ' ' HIS . 74.8 mt-30 -54.49 88.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.272 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 37' ' ' ILE . 51.3 mt -98.87 146.98 25.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.569 ' HG3' HG21 ' A' ' 54' ' ' THR . 0.0 OUTLIER -106.15 117.5 34.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.316 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.696 HD11 HD21 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -90.49 136.15 33.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.419 ' O ' ' HA ' ' A' ' 49' ' ' VAL . 4.0 m -135.41 160.69 37.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.928 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -123.63 126.55 46.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -109.97 -46.44 3.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.242 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.58 165.45 18.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.137 . . . . 0.0 110.026 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.9 p -63.64 121.75 13.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.57 6.53 88.96 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.452 1.095 . . . . 0.0 111.026 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.677 ' HB3' HD11 ' A' ' 79' ' ' LEU . 13.6 mt-10 -116.0 142.91 46.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 0.765 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.419 ' HA ' ' O ' ' A' ' 42' ' ' SER . 25.6 m -141.31 155.06 20.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -123.89 134.27 53.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.3 mt -116.39 115.51 49.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.355 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.25 148.16 52.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.4 m -79.78 137.13 36.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.976 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.569 HG21 ' HG3' ' A' ' 40' ' ' GLN . 72.6 p -94.05 -3.31 51.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 110.374 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -103.82 -66.85 0.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.319 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.495 HG22 ' HB3' ' A' ' 22' ' ' PRO . 4.1 p -68.34 -64.53 0.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.397 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 114.66 50.71 0.48 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -134.4 141.0 46.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 0.742 . . . . 0.0 110.337 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -84.58 139.58 32.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 110.978 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.559 ' HB2' HD11 ' A' ' 20' ' ' ILE . 6.9 tp -77.25 118.33 19.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.443 ' HB2' ' SG ' ' A' ' 78' ' ' CYS . . . -139.44 150.44 45.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 34.8 ttm -104.68 119.8 39.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.37 173.43 9.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.14 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 77.3 p -68.24 -19.46 64.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.372 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.529 ' HB3' HD13 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -71.89 -6.73 43.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.424 ' O ' ' HA ' ' A' ' 114' ' ' ARG . . . 83.26 7.42 86.75 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.529 HD13 ' HB3' ' A' ' 65' ' ' ASP . 5.3 mp -99.82 167.21 10.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 0.741 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.764 HD11 HG13 ' A' ' 104' ' ' VAL . 21.6 mt -104.69 142.2 35.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.569 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 1.6 p90 -153.15 150.35 28.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 111.03 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -81.78 123.29 6.0 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.453 1.095 . . . . 0.0 111.003 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.7 t -88.56 140.16 29.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 0.753 . . . . 0.0 109.998 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -63.86 -37.61 88.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 110.283 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.2 p -124.2 160.8 50.76 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.386 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 109.42 2.93 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.487 1.782 . . . . 0.0 111.027 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -120.24 157.12 29.79 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.454 1.096 . . . . 0.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.99 -29.81 3.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.095 . . . . 0.0 110.302 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -60.88 -26.6 67.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.443 ' SG ' ' HB2' ' A' ' 61' ' ' ALA . 39.7 m -81.23 -15.48 55.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 108.238 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.677 HD11 ' HB3' ' A' ' 48' ' ' GLU . 2.9 tp -86.51 118.82 26.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -117.71 165.03 14.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 111.02 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.774 HD22 ' O ' ' A' ' 93' ' ' ILE . 0.4 OUTLIER -103.71 124.99 49.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.08 142.52 39.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -146.77 166.41 26.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -92.73 110.75 22.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.779 ' CD ' HG21 ' A' ' 91' ' ' THR . 15.1 mt-10 -107.45 144.12 34.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.276 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.507 ' O ' ' CB ' ' A' ' 87' ' ' ASN . 30.9 mt-10 -47.01 172.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.269 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.507 ' CB ' ' O ' ' A' ' 86' ' ' GLU . 0.2 OUTLIER 82.53 -0.33 1.33 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 1.1 t60 70.47 39.91 1.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.592 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.733 ' HA ' HD23 ' A' ' 128' ' ' LEU . 9.3 m-85 -131.95 167.87 18.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -113.51 173.48 6.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.779 HG21 ' CD ' ' A' ' 85' ' ' GLU . 2.7 p -140.05 166.72 23.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.388 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.595 ' CD1' ' O ' ' A' ' 91' ' ' THR . 25.1 m-85 -147.2 133.12 19.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.774 ' O ' HD22 ' A' ' 81' ' ' LEU . 54.5 mt -136.93 135.64 48.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.463 ' O ' ' HB2' ' A' ' 98' ' ' ALA . 0.4 OUTLIER -63.85 138.76 58.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.985 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.671 ' HG3' HD11 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -65.09 -67.97 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.7 tttt -50.53 -29.67 11.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -120.58 59.3 0.91 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.448 1.092 . . . . 0.0 109.582 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.463 ' HB2' ' O ' ' A' ' 94' ' ' SER . . . -102.03 -51.47 3.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.253 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -55.09 -22.54 16.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 110.286 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.522 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 2.4 mtpt -78.18 0.01 26.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 44.91 64.7 1.29 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.522 ' CD1' ' O ' ' A' ' 100' ' ' LYS . 46.8 m0 -111.87 131.81 55.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 107.995 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.674 ' CE1' HD11 ' A' ' 93' ' ' ILE . 98.1 m-85 -114.27 144.45 43.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.764 HG13 HD11 ' A' ' 68' ' ' LEU . 67.7 t -62.5 -84.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 104' ' ' VAL . . . 51.1 173.04 0.01 OUTLIER Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.517 1.135 . . . . 0.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 1.039 HD21 HD12 ' A' ' 18' ' ' LEU . 8.9 mt -138.6 132.42 31.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 0.788 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 111' ' ' SER . 15.9 mttt -54.64 -170.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 22.1 mtmt -97.09 -8.57 29.94 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -89.98 13.38 14.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.342 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 69.61 39.8 78.05 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.483 1.115 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 107' ' ' LYS . 0.6 OUTLIER -136.44 165.29 26.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 0.782 . . . . 0.0 110.003 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 112' ' ' CYS . . . . . 0.971 ' HA ' HD23 ' A' ' 106' ' ' LEU . 29.8 p -71.17 135.55 47.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 108.331 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.48 ' HD3' HG22 ' A' ' 118' ' ' THR . 4.0 tttp -89.89 124.36 34.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.477 ' O ' HG23 ' A' ' 118' ' ' THR . 0.0 OUTLIER -36.13 152.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.521 ' N ' ' CD ' ' A' ' 116' ' ' PRO . . . -74.9 -49.74 9.7 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.455 1.097 . . . . 0.0 111.039 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.521 ' CD ' ' N ' ' A' ' 115' ' ' GLY . 18.2 Cg_endo -75.03 5.06 4.22 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.563 1.823 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.443 ' HG3' ' CB ' ' A' ' 114' ' ' ARG . 8.2 mmt180 -115.46 39.76 2.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.288 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.555 HG21 ' O ' ' A' ' 103' ' ' PHE . 16.6 p -125.46 168.47 13.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.412 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -147.52 158.43 43.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.603 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -90.47 114.44 26.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 111.049 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 125.3 -0.38 8.14 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.509 1.131 . . . . 0.0 111.011 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -86.57 154.66 20.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 0.782 . . . . 0.0 110.325 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.884 ' HA ' HD12 ' A' ' 126' ' ' LEU . 2.7 ttmp? -80.61 -4.97 56.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.52 -64.06 1.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.595 1.185 . . . . 0.0 109.285 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.5 HG22 ' CB ' ' A' ' 103' ' ' PHE . 6.9 pt -45.31 -26.74 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.24 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.884 HD12 ' HA ' ' A' ' 123' ' ' LYS . 48.6 mt -70.86 128.16 35.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -133.75 142.91 48.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.733 HD23 ' HA ' ' A' ' 89' ' ' TYR . 0.1 OUTLIER -132.81 115.93 14.58 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 129' ' ' PRO . . . . . 0.468 ' HA ' ' O ' ' A' ' 8' ' ' LEU . 18.2 Cg_endo -75.02 117.45 4.91 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.464 1.771 . . . . 0.0 111.022 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.427 HD12 ' HE1' ' A' ' 17' ' ' PHE . 58.1 mt -89.64 141.87 28.89 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 119.48 5.66 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.558 1.82 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.435 ' CG2' HD11 ' A' ' 8' ' ' LEU . 1.2 p -125.42 144.96 33.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 134' ' ' SER . 3.3 t 77.98 -69.44 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.013 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 133' ' ' SER . 0.3 OUTLIER 54.16 104.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.978 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 135' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 136' ' ' LEU . 0.8 OUTLIER -154.38 135.99 14.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.403 ' O ' ' O ' ' A' ' 135' ' ' ASP . 0.1 OUTLIER 45.36 -169.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.09 . . . . 0.0 109.32 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.403 ' CB ' ' O ' ' A' ' 136' ' ' LEU . 0.9 OUTLIER 167.57 97.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 110.277 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -52.15 161.77 0.57 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.61 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -173.45 158.16 3.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.605 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -138.57 147.64 43.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.628 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 37.1 p-80 -78.13 -62.69 1.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.603 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 41.5 t-80 59.82 167.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.61 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.108 . . . . 0.0 109.546 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.534 0.207 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 26.9 t30 -144.91 -58.53 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 52.54 97.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.97 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.5 -68.77 0.68 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.409 ' N ' ' HD3' ' A' ' 6' ' ' PRO . 2.9 ttpt 56.25 64.46 4.97 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.409 ' HD3' ' N ' ' A' ' 5' ' ' LYS . 18.5 Cg_endo -74.92 147.29 34.1 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.452 1.764 . . . . 0.0 111.013 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -143.96 156.83 44.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.658 HD11 ' CG2' ' A' ' 132' ' ' VAL . 1.8 mt -108.84 141.12 41.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.62 HD11 HD13 ' A' ' 51' ' ' ILE . 28.9 mt -91.46 115.96 28.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.553 ' HB2' HD23 ' A' ' 130' ' ' LEU . 61.6 t80 -102.15 120.97 41.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.563 1.164 . . . . 0.0 111.005 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 13' ' ' ASN . 7.2 t -88.48 77.68 8.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 108.3 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.49 ' OG ' ' CG ' ' A' ' 123' ' ' LYS . 80.5 p -37.97 -30.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.957 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 11' ' ' CYS . 34.6 t30 -47.02 -47.98 22.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -123.79 -38.3 0.54 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.479 1.112 . . . . 0.0 111.042 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 11' ' ' CYS . . . 98.98 76.37 1.25 Allowed Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 70.2 m80 -151.34 156.96 41.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 0.0 109.625 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -103.25 143.28 32.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.977 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.531 ' CD1' HD21 ' A' ' 106' ' ' LEU . 15.9 tp -77.44 114.57 16.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.659 ' HB2' HG22 ' A' ' 37' ' ' ILE . 17.8 ttp180 -109.25 141.95 40.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 110.249 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 8.8 mt -123.67 115.65 45.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.484 HD12 ' HB ' ' A' ' 25' ' ' THR . 20.3 mt -90.34 157.51 44.79 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -8.55 20.2 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.546 1.814 . . . . 0.0 110.983 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.66 7.5 33.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.43 40.64 32.46 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.498 1.124 . . . . 0.0 111.02 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.484 ' HB ' HD12 ' A' ' 21' ' ' LEU . 3.5 m -121.82 142.93 49.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 0.751 . . . . 0.0 110.429 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.472 ' CG2' ' O ' ' A' ' 68' ' ' LEU . 9.8 t -135.2 119.08 25.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -148.21 162.35 39.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.342 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -79.2 149.62 32.68 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.569 ' CG2' HG21 ' A' ' 37' ' ' ILE . 5.4 t -161.13 106.37 1.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.771 . . . . 0.0 110.446 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.8 41.92 1.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.343 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 33' ' ' SER . 2.1 t70 -95.42 -15.44 22.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 33' ' ' SER . 3.1 mtm105 66.4 -60.79 0.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 31' ' ' ASP . 0.4 OUTLIER -35.47 -38.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.556 ' OD2' HG21 ' A' ' 29' ' ' THR . 0.4 OUTLIER -47.53 144.25 3.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.09 . . . . 0.0 109.317 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 70.5 mm-40 -107.47 -27.6 10.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 110.318 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 16.5 m80 -67.43 -14.65 63.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.577 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.659 HG22 ' HB2' ' A' ' 19' ' ' ARG . 37.0 pt -73.61 -26.5 21.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.36 102.95 0.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.743 HD23 ' HA ' ' A' ' 53' ' ' SER . 21.6 mt -114.82 146.92 40.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.813 ' HG2' HG22 ' A' ' 54' ' ' THR . 0.0 OUTLIER -105.36 114.95 29.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.304 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.39 136.24 33.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 50' ' ' TYR . 6.3 m -139.75 156.77 46.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 110.011 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -116.26 127.25 54.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -110.07 -47.55 3.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.317 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.16 166.02 14.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.948 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 49.9 t -66.45 119.71 12.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.414 ' O ' ' HA ' ' A' ' 81' ' ' LEU . . . 80.15 7.92 88.09 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.51 1.132 . . . . 0.0 111.009 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.639 ' HB3' HD11 ' A' ' 79' ' ' LEU . 22.9 mt-10 -118.39 140.56 49.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 0.784 . . . . 0.0 110.28 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.3 m -134.43 163.3 37.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.594 ' CE2' HD13 ' A' ' 79' ' ' LEU . 3.8 m-85 -131.15 131.93 44.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 111.037 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.62 HD13 HD11 ' A' ' 9' ' ' LEU . 3.2 mt -113.39 115.47 49.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.403 ' HG2' ' N ' ' A' ' 53' ' ' SER . 7.3 tttp -128.59 143.66 51.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.743 ' HA ' HD23 ' A' ' 39' ' ' LEU . 1.1 t -79.25 127.69 32.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.014 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.813 HG22 ' HG2' ' A' ' 40' ' ' GLN . 63.0 p -84.99 8.75 16.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 110.396 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -111.04 -67.84 0.97 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.286 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 26.6 p -74.66 -45.16 46.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.37 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 99.57 33.68 5.26 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -108.93 165.78 11.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 0.746 . . . . 0.0 110.326 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -108.15 138.22 44.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 111.023 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.508 HD11 HD21 ' A' ' 18' ' ' LEU . 7.6 tp -77.14 115.9 17.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -136.87 148.72 47.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 33.9 ttm -104.72 115.91 31.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 111.033 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.411 ' CG ' ' CE2' ' A' ' 69' ' ' TYR . 0.4 OUTLIER -68.53 -167.41 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 43.1 p -83.72 -10.19 58.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.418 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.568 ' CB ' HD12 ' A' ' 67' ' ' LEU . 34.9 m-20 -85.34 -4.59 59.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.462 ' HA3' ' CD ' ' A' ' 116' ' ' PRO . . . 81.17 2.09 90.31 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.48 1.112 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.568 HD12 ' CB ' ' A' ' 65' ' ' ASP . 3.9 mp -87.01 164.95 16.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 0.76 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 1.002 HD11 HG13 ' A' ' 104' ' ' VAL . 23.2 mt -106.74 126.08 51.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.551 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 2.8 p90 -136.89 163.11 31.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 111.013 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -92.54 127.68 9.07 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 111.029 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.6 t -92.49 140.58 29.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 0.795 . . . . 0.0 109.971 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -73.09 -34.22 66.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.2 p -121.22 158.44 53.02 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.405 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 113.14 3.72 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.461 1.769 . . . . 0.0 111.05 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -126.62 154.2 44.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.61 -25.73 1.25 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 110.245 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.509 ' O ' ' CE1' ' A' ' 80' ' ' PHE . 41.4 mt-10 -62.62 -30.39 71.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.097 . . . . 0.0 110.343 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 55.9 m -77.08 -16.86 59.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 108.329 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.639 HD11 ' HB3' ' A' ' 48' ' ' GLU . 2.4 tp -90.43 120.42 31.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.256 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.509 ' CE1' ' O ' ' A' ' 77' ' ' GLU . 20.8 m-85 -121.17 164.14 17.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 111.004 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.848 HD22 ' O ' ' A' ' 93' ' ' ILE . 0.1 OUTLIER -104.55 126.19 51.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.401 ' HA ' ' O ' ' A' ' 91' ' ' THR . 7.0 tm-20 -109.05 152.56 24.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 110.331 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.55 165.16 37.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.302 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.748 HD13 ' N ' ' A' ' 85' ' ' GLU . 0.3 OUTLIER -97.52 133.25 42.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.748 ' N ' HD13 ' A' ' 84' ' ' LEU . 2.0 mt-10 -114.78 166.19 12.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.407 ' O ' ' O ' ' A' ' 85' ' ' GLU . 0.6 OUTLIER -45.77 172.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.306 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 66.36 -83.93 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.593 ' O ' HD11 ' A' ' 128' ' ' LEU . 0.0 OUTLIER 170.37 41.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.597 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.898 ' CD1' HD13 ' A' ' 128' ' ' LEU . 24.4 m-85 -112.47 164.21 13.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 111.019 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -121.51 162.05 21.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 109.276 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' A' ' 82' ' ' GLU . 0.6 OUTLIER -131.97 167.12 20.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 110.434 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -147.49 132.86 18.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.848 ' O ' HD22 ' A' ' 81' ' ' LEU . 54.8 mt -133.19 140.95 45.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.41 ' O ' ' N ' ' A' ' 98' ' ' ALA . 8.8 t -73.26 138.07 45.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.963 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.416 ' HG3' HD11 ' A' ' 81' ' ' LEU . 1.4 tttt -62.87 -76.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -43.05 -30.15 0.41 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.162 . . . . 0.0 109.264 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -123.39 59.26 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.58 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.496 ' HA ' ' CG2' ' A' ' 93' ' ' ILE . . . -95.56 -55.63 2.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -54.91 -20.07 8.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 110.28 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -74.41 -3.69 32.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 48.7 65.44 1.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.351 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 43.9 m0 -111.3 138.27 47.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 108.011 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -121.72 149.29 43.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 111.035 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 1.002 HG13 HD11 ' A' ' 68' ' ' LEU . 24.6 t -91.43 91.7 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -126.74 166.46 19.52 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.472 1.108 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.964 HD23 ' HA ' ' A' ' 112' ' ' CYS . 2.6 mt -128.61 133.66 48.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 0.778 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 111' ' ' SER . 0.7 OUTLIER -55.55 -172.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -94.09 -9.59 36.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.262 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -91.73 21.44 4.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 63.93 32.91 85.77 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.526 1.141 . . . . 0.0 110.962 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 107' ' ' LYS . 0.4 OUTLIER -120.77 165.25 15.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 0.768 . . . . 0.0 109.989 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 112' ' ' CYS . . . . . 0.964 ' HA ' HD23 ' A' ' 106' ' ' LEU . 21.8 p -76.25 134.24 39.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 108.258 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.468 ' HD3' HG22 ' A' ' 118' ' ' THR . 7.0 tttp -91.43 112.43 24.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.443 ' CB ' ' HG3' ' A' ' 117' ' ' ARG . 1.8 mpp_? -37.21 134.52 0.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.48 ' C ' ' H ' ' A' ' 117' ' ' ARG . . . -56.77 -52.51 50.29 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.511 1.132 . . . . 0.0 111.047 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.477 ' CD ' ' N ' ' A' ' 115' ' ' GLY . 18.4 Cg_endo -75.01 35.66 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.482 1.78 . . . . 0.0 111.027 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.48 ' H ' ' C ' ' A' ' 115' ' ' GLY . 6.7 mmm180 -142.86 19.95 1.98 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.342 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.468 HG22 ' HD3' ' A' ' 113' ' ' LYS . 1.0 OUTLIER -118.88 164.67 15.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.387 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -147.69 166.07 28.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.565 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -85.03 114.28 22.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 110.967 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 132.11 -13.51 5.22 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.469 1.105 . . . . 0.0 110.987 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -81.05 162.58 23.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 0.764 . . . . 0.0 110.307 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.888 ' HA ' HD12 ' A' ' 126' ' ' LEU . 5.4 ttmt -89.31 -0.39 57.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.78 -61.1 2.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 4.4 pt -52.66 -26.9 11.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.145 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.888 HD12 ' HA ' ' A' ' 123' ' ' LYS . 37.7 mt -71.57 107.99 4.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.576 ' CZ ' ' O ' ' A' ' 104' ' ' VAL . 1.3 m-30 -116.01 126.4 53.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.898 HD13 ' CD1' ' A' ' 89' ' ' TYR . 3.0 tp -107.46 115.68 59.08 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' PRO . . . . . 0.449 ' HA ' ' O ' ' A' ' 8' ' ' LEU . 18.1 Cg_endo -75.01 120.54 6.11 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.496 1.787 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.553 HD23 ' HB2' ' A' ' 10' ' ' TYR . 3.9 mm? -97.7 134.63 22.19 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 130' ' ' LEU . 18.4 Cg_endo -74.94 104.3 1.88 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.483 1.78 . . . . 0.0 110.962 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.658 ' CG2' HD11 ' A' ' 8' ' ' LEU . 0.5 OUTLIER -97.64 1.69 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.5 64.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.984 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 64.2 p -53.13 -173.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.985 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -150.98 -171.34 3.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -94.29 -77.91 0.45 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 54.55 77.24 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.325 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -86.39 -62.4 1.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.583 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 46.2 p-80 -166.68 -52.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.618 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -150.61 -60.72 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.579 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -172.48 132.09 0.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.572 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -81.49 129.2 34.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 109.603 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.564 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.257 0 CA-C-O 120.471 0.177 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -87.89 126.24 34.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -126.76 55.23 1.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 111.048 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.6 mtmm 52.25 -177.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 70.08 69.48 0.38 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.423 ' HG2' ' CG1' ' A' ' 132' ' ' VAL . 18.3 Cg_endo -75.0 -178.3 4.07 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.497 1.788 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.36 153.44 42.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.142 . . . . 0.0 109.333 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.447 ' O ' ' HA ' ' A' ' 129' ' ' PRO . 0.3 OUTLIER -110.46 144.14 39.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.872 HD21 HD11 ' A' ' 41' ' ' LEU . 21.8 mt -91.79 122.89 34.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.487 ' O ' ' CD1' ' A' ' 127' ' ' PHE . 8.9 t80 -96.21 160.15 14.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 111.046 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 13' ' ' ASN . 46.5 t -138.95 74.68 1.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 108.312 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 11' ' ' CYS . 1.4 p -37.08 -32.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.021 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 11' ' ' CYS . 15.4 t30 -40.34 -67.06 0.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.571 1.169 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -115.55 -22.31 4.8 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.504 1.127 . . . . 0.0 110.968 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 11' ' ' CYS . . . 86.86 75.24 1.27 Allowed Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.512 ' CD2' ' HG2' ' A' ' 30' ' ' ARG . 12.0 m80 -143.71 159.73 41.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 0.751 . . . . 0.0 109.581 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -106.9 140.02 40.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.967 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.701 HD13 HD21 ' A' ' 106' ' ' LEU . 16.7 tp -78.69 115.59 18.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.775 ' HB3' HG22 ' A' ' 37' ' ' ILE . 2.2 ptm180 -116.46 150.46 37.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.349 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.637 HD11 ' HB2' ' A' ' 60' ' ' LEU . 9.5 mt -124.36 113.15 35.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 109.269 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.675 HD21 ' NE ' ' A' ' 19' ' ' ARG . 18.7 mt -80.47 156.45 73.44 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -2.72 12.9 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.49 1.784 . . . . 0.0 111.04 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.52 2.83 55.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.0 43.93 8.5 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.477 1.11 . . . . 0.0 110.966 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.506 ' HB ' HD12 ' A' ' 21' ' ' LEU . 3.0 m -123.93 144.88 49.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 0.773 . . . . 0.0 110.371 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.543 HG11 HD11 ' A' ' 60' ' ' LEU . 4.0 t -134.78 117.49 23.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -148.36 162.09 40.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 110' ' ' GLY . . . -86.35 151.83 24.85 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.513 1.133 . . . . 0.0 110.949 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.403 HG21 ' OD2' ' A' ' 34' ' ' ASP . 1.3 t -158.42 148.36 19.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 0.779 . . . . 0.0 110.402 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.512 ' HG2' ' CD2' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -130.89 48.89 2.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.298 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 33' ' ' SER . 4.2 t0 -105.14 -17.84 14.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 109.264 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 34' ' ' ASP . 7.1 mtm180 65.21 -65.89 0.15 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.559 1.162 . . . . 0.0 110.266 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 31' ' ' ASP . 0.2 OUTLIER -36.54 -33.56 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.995 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 32' ' ' ARG . 3.0 t0 -43.69 127.68 5.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.403 ' O ' ' OE1' ' A' ' 55' ' ' GLU . 41.6 mm-40 -101.6 35.42 2.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 110.323 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.416 ' CD2' ' HG2' ' A' ' 55' ' ' GLU . 40.2 m80 -142.89 17.61 1.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.161 . . . . 0.0 109.638 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.775 HG22 ' HB3' ' A' ' 19' ' ' ARG . 19.8 pt -106.09 -18.94 6.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -67.89 98.65 0.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.295 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 81.9 mt -106.27 147.0 29.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.467 ' HB2' ' CG2' ' A' ' 54' ' ' THR . 0.0 OUTLIER -106.52 114.65 28.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.872 HD11 HD21 ' A' ' 9' ' ' LEU . 0.5 OUTLIER -93.25 136.21 33.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.415 ' O ' ' HA ' ' A' ' 49' ' ' VAL . 3.2 m -141.32 159.69 41.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.995 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -116.52 129.01 55.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.555 1.16 . . . . 0.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.426 ' HG2' ' OG ' ' A' ' 45' ' ' SER . 0.5 OUTLIER -113.15 -41.12 3.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 110.254 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.426 ' OG ' ' HG2' ' A' ' 44' ' ' GLU . 0.9 OUTLIER -128.53 165.99 19.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.432 1.082 . . . . 0.0 109.985 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.1 t -63.97 117.12 4.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.44 1.088 . . . . 0.0 109.316 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.18 9.38 86.67 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.463 1.102 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.557 ' HB3' HD11 ' A' ' 79' ' ' LEU . 23.6 mt-10 -116.56 140.93 48.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 0.762 . . . . 0.0 110.304 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.415 ' HA ' ' O ' ' A' ' 42' ' ' SER . 19.9 m -137.74 152.54 26.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.425 ' CE2' HD22 ' A' ' 79' ' ' LEU . 1.3 m-85 -122.33 132.69 54.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.477 HD12 HD23 ' A' ' 60' ' ' LEU . 4.7 mt -112.44 125.18 69.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -135.35 140.84 45.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.26 121.38 24.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.043 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.467 ' CG2' ' HB2' ' A' ' 40' ' ' GLN . 68.4 p -81.45 -3.6 53.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.358 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.416 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 11.0 tp10 -99.74 -69.61 0.76 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 22.2 p -70.38 -62.37 1.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.425 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 120.29 38.88 0.66 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -121.92 164.8 16.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 0.747 . . . . 0.0 110.294 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -108.13 141.05 40.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.637 ' HB2' HD11 ' A' ' 20' ' ' ILE . 7.3 tp -77.02 113.05 14.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.105 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.439 ' HB2' ' SG ' ' A' ' 78' ' ' CYS . . . -134.69 152.47 51.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 36.6 tpp -104.11 136.93 42.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.529 ' CG ' ' CE2' ' A' ' 69' ' ' TYR . 0.7 OUTLIER -91.52 -170.38 2.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 58.0 p -81.45 -21.12 39.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.429 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.464 ' CB ' HD22 ' A' ' 67' ' ' LEU . 2.2 m-20 -77.38 -2.88 37.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 81.51 -2.44 82.4 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.538 1.149 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.464 HD22 ' CB ' ' A' ' 65' ' ' ASP . 0.5 OUTLIER -85.67 156.26 20.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 0.792 . . . . 0.0 109.313 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.49 HD11 HG13 ' A' ' 104' ' ' VAL . 35.3 mt -96.15 142.17 28.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.554 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 2.9 p90 -151.06 162.19 41.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.975 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -93.98 130.41 10.3 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.8 t -96.08 139.89 31.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 0.784 . . . . 0.0 110.023 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -70.33 -34.9 73.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.3 p -120.59 159.06 49.86 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.415 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 111.79 3.41 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.501 1.79 . . . . 0.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -124.53 154.57 40.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.41 -25.4 1.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.323 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.426 ' O ' ' CE1' ' A' ' 80' ' ' PHE . 25.2 mt-10 -65.11 -27.82 69.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.097 . . . . 0.0 110.295 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.439 ' SG ' ' HB2' ' A' ' 61' ' ' ALA . 63.6 m -79.56 -15.63 57.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 108.288 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.557 HD11 ' HB3' ' A' ' 48' ' ' GLU . 2.0 tp -89.8 124.87 35.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.588 ' C ' HD13 ' A' ' 81' ' ' LEU . 13.0 m-85 -125.0 165.04 18.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.575 1.172 . . . . 0.0 110.997 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.811 HD22 ' O ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -103.93 129.73 51.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.319 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.55 146.18 36.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.322 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.499 ' HG3' ' N ' ' A' ' 84' ' ' LEU . 16.1 tpt180 -143.86 151.08 39.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.499 ' N ' ' HG3' ' A' ' 83' ' ' ARG . 0.6 OUTLIER -95.45 126.26 40.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.493 ' N ' HD13 ' A' ' 84' ' ' LEU . 5.2 mm-40 -99.52 160.72 14.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.247 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -83.83 51.09 1.95 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -158.08 26.55 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 59.2 m-70 53.37 43.41 31.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.566 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.44 ' CE1' HD12 ' A' ' 128' ' ' LEU . 4.3 m-85 -143.81 143.69 31.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.437 ' N ' ' OD1' ' A' ' 90' ' ' ASN . 0.7 OUTLIER -114.48 156.86 23.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 109.352 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.487 HG22 ' O ' ' A' ' 125' ' ' ILE . 60.5 p -126.67 170.67 11.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 110.361 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.475 ' HE2' HD22 ' A' ' 9' ' ' LEU . 30.9 m-85 -143.64 133.12 23.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.811 ' O ' HD22 ' A' ' 81' ' ' LEU . 16.6 mt -131.27 140.3 48.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.6 t -66.49 138.74 57.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 109.981 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.789 ' HG3' HD11 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -67.3 -72.46 0.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -44.26 -29.14 0.61 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 109.254 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -122.02 51.14 1.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.615 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -84.15 -48.08 10.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -65.97 -10.52 40.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.278 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.542 ' HD2' ' CZ2' ' A' ' 102' ' ' TRP . 14.4 mttt -83.12 -9.7 59.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 52.71 63.77 2.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.165 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.567 ' CD1' ' C ' ' A' ' 115' ' ' GLY . 46.0 m0 -113.21 131.83 55.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 107.994 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.58 ' CE2' HD11 ' A' ' 93' ' ' ILE . 64.8 m-85 -116.78 148.96 40.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.985 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.549 ' CG1' HD22 ' A' ' 18' ' ' LEU . 8.3 t -76.49 -17.72 14.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.145 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.565 ' HA2' ' CE1' ' A' ' 127' ' ' PHE . . . -31.96 139.92 0.06 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.922 HD23 ' HA ' ' A' ' 112' ' ' CYS . 1.1 mt -106.83 160.72 15.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 0.765 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 111' ' ' SER . 20.1 mttt -72.45 -170.82 0.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.436 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 0.3 OUTLIER -74.66 -29.87 61.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.421 1.076 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.417 ' N ' ' HG3' ' A' ' 108' ' ' LYS . 16.2 p-10 -83.89 16.03 3.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . 62.25 43.53 98.97 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.533 1.146 . . . . 0.0 111.037 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.438 ' O ' ' HA ' ' A' ' 106' ' ' LEU . 0.4 OUTLIER -112.94 147.16 37.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 0.784 . . . . 0.0 109.982 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 112' ' ' CYS . . . . . 0.922 ' HA ' HD23 ' A' ' 106' ' ' LEU . 18.4 p -65.96 128.87 37.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 108.307 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.851 ' HD3' HG22 ' A' ' 118' ' ' THR . 10.4 tttp -90.48 115.82 27.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.431 ' CB ' ' HG3' ' A' ' 117' ' ' ARG . 0.1 OUTLIER -38.38 132.13 1.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.32 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.567 ' C ' ' CD1' ' A' ' 102' ' ' TRP . . . -46.94 -59.07 5.8 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 34.21 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.527 1.804 . . . . 0.0 111.06 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.501 ' H ' ' C ' ' A' ' 115' ' ' GLY . 5.9 mmm180 -143.12 19.35 1.93 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 110.277 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.851 HG22 ' HD3' ' A' ' 113' ' ' LYS . 2.9 p -125.84 163.19 23.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.411 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -169.01 -171.42 1.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.596 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -87.93 144.64 26.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 111.001 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 108.8 -22.97 24.92 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.515 1.134 . . . . 0.0 110.972 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -79.57 144.64 33.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 0.78 . . . . 0.0 110.287 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.487 ' HG3' HD12 ' A' ' 126' ' ' LEU . 21.8 ttmt -92.7 28.68 1.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.451 ' O ' ' CA ' ' A' ' 105' ' ' GLY . . . -106.73 -31.0 8.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.137 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.557 HG22 ' CB ' ' A' ' 103' ' ' PHE . 15.7 pt -77.56 -27.65 15.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.487 HD12 ' HG3' ' A' ' 123' ' ' LYS . 76.7 mt -65.47 103.95 0.91 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.11 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.565 ' CE1' ' HA2' ' A' ' 105' ' ' GLY . 2.2 m-30 -115.9 149.8 38.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.939 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.806 HD23 ' HD2' ' A' ' 129' ' ' PRO . 0.5 OUTLIER -131.11 115.61 16.5 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 129' ' ' PRO . . . . . 0.806 ' HD2' HD23 ' A' ' 128' ' ' LEU . 18.2 Cg_endo -75.0 107.21 2.43 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.509 1.794 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.738 HD22 ' O ' ' A' ' 128' ' ' LEU . 2.1 mm? -87.34 141.59 32.7 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 130' ' ' LEU . 18.1 Cg_endo -75.06 128.08 11.15 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.474 1.776 . . . . 0.0 110.973 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.445 ' CG2' HD11 ' A' ' 8' ' ' LEU . 0.3 OUTLIER -128.21 156.76 40.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 44.17 91.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 110.0 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.94 155.71 7.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 110.001 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 169.8 149.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.659 ' N ' HD13 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -102.33 -168.53 1.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.526 ' O ' ' CG ' ' A' ' 138' ' ' HIS . 10.4 mt-10 -124.24 176.46 6.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.293 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 138' ' ' HIS . . . . . 0.526 ' CG ' ' O ' ' A' ' 137' ' ' GLU . 1.8 m-70 -179.47 176.82 0.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.591 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 50.1 t60 68.61 161.91 0.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.633 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 67.2 127.32 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.595 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 18.8 t60 -166.76 170.81 12.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.592 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -61.18 104.56 0.4 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.503 1.127 . . . . 0.0 109.591 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.613 179.971 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.7 ptm . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.525 0.202 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -166.07 -46.63 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -121.01 155.53 34.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.991 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -163.72 -69.93 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.5 mmpt? -58.36 154.75 30.95 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.254 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 150.28 37.84 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.515 1.797 . . . . 0.0 110.987 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.28 164.03 29.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.46 ' O ' ' HA ' ' A' ' 129' ' ' PRO . 0.8 OUTLIER -109.21 141.78 40.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.421 HD11 HD21 ' A' ' 41' ' ' LEU . 2.9 mm? -91.78 117.78 30.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.338 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.567 ' CE1' ' HA2' ' A' ' 15' ' ' GLY . 64.7 t80 -98.38 154.31 17.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.972 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 15' ' ' GLY . 53.6 t -131.84 79.13 1.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 108.33 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.447 ' HA ' ' CE2' ' A' ' 10' ' ' TYR . 2.1 t -37.88 -32.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.0 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 11' ' ' CYS . 30.9 t30 -42.97 -53.18 4.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -119.71 -35.8 0.88 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.567 ' HA2' ' CE1' ' A' ' 10' ' ' TYR . . . 94.5 65.56 1.01 Allowed Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 55.5 m80 -140.55 162.68 34.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.442 0.73 . . . . 0.0 109.577 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -104.5 143.04 33.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.728 ' CD1' HD11 ' A' ' 106' ' ' LEU . 13.0 tp -77.78 112.02 14.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.659 ' HB2' HG22 ' A' ' 37' ' ' ILE . 17.9 ttp180 -108.82 140.02 42.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.158 . . . . 0.0 110.313 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.609 HD11 ' HB2' ' A' ' 60' ' ' LEU . 33.7 mt -119.94 103.25 13.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 19.6 mt -74.0 155.3 88.56 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.347 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -0.7 10.3 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.483 1.78 . . . . 0.0 110.984 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -94.8 7.06 47.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.25 36.28 35.33 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.532 1.145 . . . . 0.0 111.02 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.4 m -115.69 146.63 41.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 0.781 . . . . 0.0 110.4 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.2 t -135.38 114.21 16.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.411 1.069 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -148.88 162.81 39.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.63 137.93 17.5 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.52 1.137 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.435 ' CG2' ' CG2' ' A' ' 37' ' ' ILE . 4.4 t -141.36 118.39 11.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 0.758 . . . . 0.0 110.358 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.2 ttt180 -93.98 56.06 2.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.446 ' O ' ' C ' ' A' ' 32' ' ' ARG . 5.7 t0 -142.64 79.91 1.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.588 ' HA ' HD11 ' A' ' 37' ' ' ILE . 2.7 mpp_? -35.59 -44.82 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.459 ' C ' ' O ' ' A' ' 32' ' ' ARG . 0.3 OUTLIER -35.07 -41.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.983 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.403 ' OD2' ' NH1' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -43.75 123.12 3.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -92.5 34.91 1.03 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.255 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.563 ' CD2' ' HG2' ' A' ' 55' ' ' GLU . 24.6 m80 -130.37 -45.38 1.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.583 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.659 HG22 ' HB2' ' A' ' 19' ' ' ARG . 30.1 pt -43.33 -27.8 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.434 ' N ' ' C ' ' A' ' 36' ' ' HIS . 5.2 mt-30 -59.63 82.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.67 HD23 ' HA ' ' A' ' 53' ' ' SER . 41.9 mt -88.53 148.04 24.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.255 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.466 ' HB2' HG22 ' A' ' 54' ' ' THR . 0.0 OUTLIER -104.43 114.39 28.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.147 . . . . 0.0 110.294 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.87 ' CD1' HG23 ' A' ' 51' ' ' ILE . 0.2 OUTLIER -97.18 133.85 41.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.564 1.165 . . . . 0.0 109.26 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.6 m -143.77 156.03 44.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.988 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -114.54 124.53 52.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -108.36 -41.36 4.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.68 163.3 23.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.99 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 55.0 t -62.18 119.8 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.87 13.92 83.13 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.115 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.692 ' HB3' HD11 ' A' ' 79' ' ' LEU . 15.4 mt-10 -120.79 136.72 54.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 0.746 . . . . 0.0 110.284 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 32.8 m -136.33 149.29 27.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.8 ' CE2' HD13 ' A' ' 79' ' ' LEU . 7.5 m-85 -116.92 132.02 56.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.87 HG23 ' CD1' ' A' ' 41' ' ' LEU . 4.2 mt -115.87 121.82 68.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.249 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -142.21 153.46 44.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.67 ' HA ' HD23 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -84.28 137.48 33.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.989 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.466 HG22 ' HB2' ' A' ' 40' ' ' GLN . 58.6 p -94.45 8.91 40.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 110.442 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.563 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 4.5 tp10 -103.83 -70.64 0.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 27.1 p -74.94 -54.89 6.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.402 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 115.27 41.31 0.82 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.474 1.109 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.514 ' NE2' HG22 ' A' ' 20' ' ' ILE . 6.3 mt-30 -115.56 156.44 25.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 0.754 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.458 ' CE1' ' HB3' ' A' ' 74' ' ' PRO . 54.5 m-85 -103.45 140.88 36.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 110.989 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.609 ' HB2' HD11 ' A' ' 20' ' ' ILE . 5.0 tp -80.73 116.74 20.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.251 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -138.4 155.42 48.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 50.9 ttm -109.95 115.88 30.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.54 ' CG ' ' CE2' ' A' ' 69' ' ' TYR . 1.1 m-20 -69.93 -172.14 0.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.3 p -82.15 -2.23 51.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 110.395 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -86.54 -13.57 45.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.08 -8.43 77.83 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.535 1.147 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.487 ' N ' HD13 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -91.68 164.93 13.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 0.778 . . . . 0.0 109.286 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.828 HD11 HG13 ' A' ' 104' ' ' VAL . 5.7 mt -101.05 141.73 33.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.54 ' CE2' ' CG ' ' A' ' 63' ' ' ASP . 4.8 p90 -139.71 166.75 23.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.138 . . . . 0.0 111.009 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -89.58 119.7 5.57 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.83 140.22 29.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 0.751 . . . . 0.0 109.987 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -77.86 -31.19 51.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.28 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.7 p -131.95 155.94 80.73 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.425 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.458 ' HB3' ' CE1' ' A' ' 59' ' ' TYR . 18.4 Cg_endo -74.99 110.54 3.14 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.503 1.791 . . . . 0.0 110.977 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 60.3 m-80 -124.29 157.61 34.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -46.32 -25.54 0.66 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.27 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -61.58 -31.78 71.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.323 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.423 ' SG ' ' CB ' ' A' ' 59' ' ' TYR . 24.6 m -75.72 -16.5 60.14 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 108.331 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.8 HD13 ' CE2' ' A' ' 50' ' ' TYR . 4.1 tp -85.29 119.55 25.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -117.84 165.66 13.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.575 HD21 ' HA ' ' A' ' 95' ' ' LYS . 1.3 mm? -103.04 123.43 46.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.422 ' HG2' ' N ' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -108.99 144.79 36.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.342 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.422 ' N ' ' HG2' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -142.55 166.23 25.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.354 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.642 HD22 ' N ' ' A' ' 85' ' ' GLU . 0.3 OUTLIER -97.73 112.55 24.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.642 ' N ' HD22 ' A' ' 84' ' ' LEU . 8.7 mm-40 -105.29 151.78 23.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -56.25 176.43 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.327 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 68.11 9.81 7.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.127 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 37.5 m170 62.29 61.49 1.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.554 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.828 ' CD1' HD13 ' A' ' 128' ' ' LEU . 2.3 m-85 -143.62 151.5 40.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 110.999 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.403 ' OD1' ' N ' ' A' ' 90' ' ' ASN . 0.8 OUTLIER -113.31 160.29 18.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.27 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.552 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 24.3 p -130.03 171.62 12.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.428 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.552 ' CD1' ' O ' ' A' ' 91' ' ' THR . 33.8 m-85 -149.86 132.98 16.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 111.026 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.733 HD11 ' CE2' ' A' ' 103' ' ' PHE . 34.4 mt -134.33 143.75 37.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.266 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 98' ' ' ALA . 0.2 OUTLIER -69.24 138.71 54.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.039 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.575 ' HA ' HD21 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -67.04 -65.35 0.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.572 ' HB3' ' CD2' ' A' ' 97' ' ' HIS . 18.7 tttt -51.2 -22.69 2.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.572 ' CD2' ' HB3' ' A' ' 96' ' ' LYS . 0.1 OUTLIER -123.77 41.53 3.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.572 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 94' ' ' SER . . . -76.64 -41.69 44.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.41 ' O ' ' OD1' ' A' ' 101' ' ' ASN . 4.3 pt-20 -68.84 -22.2 64.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 110.293 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.534 ' HD3' ' CZ2' ' A' ' 102' ' ' TRP . 0.9 OUTLIER -74.56 -9.87 59.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.41 ' OD1' ' O ' ' A' ' 99' ' ' GLU . 0.4 OUTLIER 50.13 65.04 1.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.6 ' O ' HG23 ' A' ' 93' ' ' ILE . 51.2 m0 -111.99 131.98 55.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 108.036 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.733 ' CE2' HD11 ' A' ' 93' ' ' ILE . 88.5 m-85 -115.64 148.2 39.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 111.033 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.828 HG13 HD11 ' A' ' 68' ' ' LEU . 40.6 t -87.44 125.78 41.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.485 ' HA2' ' CE1' ' A' ' 127' ' ' PHE . . . -161.15 165.94 35.54 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.54 1.15 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.759 HD23 ' HA ' ' A' ' 112' ' ' CYS . 8.9 mt -134.16 137.11 44.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 0.767 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.2 mmtm -64.84 -168.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -82.73 -23.29 34.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -86.29 7.23 26.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 73.53 35.23 56.04 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.529 1.143 . . . . 0.0 111.018 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.401 ' O ' ' HA ' ' A' ' 106' ' ' LEU . 37.5 m -109.2 141.7 41.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.766 . . . . 0.0 110.01 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' CYS . . . . . 0.759 ' HA ' HD23 ' A' ' 106' ' ' LEU . 17.6 p -66.39 135.25 54.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 108.276 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.838 ' HE3' HG22 ' A' ' 118' ' ' THR . 28.5 ttpt -90.1 121.85 32.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 113' ' ' LYS . 0.2 OUTLIER -36.67 132.77 0.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.284 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.58 ' N ' ' CD ' ' A' ' 116' ' ' PRO . . . -61.22 -46.46 94.44 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.443 1.089 . . . . 0.0 110.984 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.58 ' CD ' ' N ' ' A' ' 115' ' ' GLY . 18.2 Cg_endo -75.03 3.01 6.01 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.497 1.788 . . . . 0.0 110.992 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.403 ' HG3' ' CB ' ' A' ' 114' ' ' ARG . 4.9 mmt-85 -115.39 41.38 2.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.361 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.838 HG22 ' HE3' ' A' ' 113' ' ' LYS . 18.6 p -122.52 166.92 14.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.383 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.444 ' ND1' ' O ' ' A' ' 118' ' ' THR . 0.0 OUTLIER -176.48 175.11 1.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.58 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.418 ' CE1' ' CZ ' ' A' ' 103' ' ' PHE . 30.7 m-85 -88.22 123.36 32.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.988 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 133.86 -23.22 3.76 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.473 1.108 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -80.06 151.41 29.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 110.246 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.58 ' HA ' HD12 ' A' ' 126' ' ' LEU . 22.9 ttmt -93.28 21.64 5.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -98.65 -52.99 3.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 3.7 pt -55.16 -25.36 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.257 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.58 HD12 ' HA ' ' A' ' 123' ' ' LYS . 23.9 mt -73.12 109.7 6.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.485 ' CE1' ' HA2' ' A' ' 105' ' ' GLY . 1.8 m-30 -118.89 145.1 45.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.828 HD13 ' CD1' ' A' ' 89' ' ' TYR . 3.7 tp -130.4 116.78 17.57 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.16 . . . . 0.0 109.318 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' PRO . . . . . 0.46 ' HA ' ' O ' ' A' ' 8' ' ' LEU . 18.2 Cg_endo -75.02 128.01 11.13 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.511 1.795 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.421 HD23 ' HB2' ' A' ' 10' ' ' TYR . 3.9 mm? -101.69 132.28 21.9 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.348 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 103.73 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.447 1.761 . . . . 0.0 111.0 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 4.7 p -94.88 -5.45 10.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.332 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -163.57 76.73 0.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 109.965 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 4.2 m -40.69 159.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.0 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 137' ' ' GLU . 0.0 OUTLIER -88.45 -69.49 0.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 56.41 -85.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.515 ' O ' ' CG ' ' A' ' 138' ' ' HIS . 0.0 OUTLIER -52.08 126.37 18.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 110.313 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 138' ' ' HIS . . . . . 0.515 ' CG ' ' O ' ' A' ' 137' ' ' GLU . 0.8 OUTLIER 164.13 170.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.149 . . . . 0.0 109.662 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -120.46 118.07 29.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.6 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -98.78 168.77 9.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.575 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 42.4 p-80 -147.18 158.2 43.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.622 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -169.71 145.35 3.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.591 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.621 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 mpp? . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.445 0.164 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -174.61 148.76 1.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.329 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -57.3 114.81 2.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -98.21 -77.81 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.528 ' N ' ' CB ' ' A' ' 133' ' ' SER . 1.7 mttt 173.42 -59.27 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.768 ' O ' HG12 ' A' ' 132' ' ' VAL . 18.3 Cg_endo -75.0 -162.43 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.528 1.804 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.472 ' C ' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -140.77 172.31 12.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.727 ' HG ' HD12 ' A' ' 37' ' ' ILE . 0.7 OUTLIER -110.62 159.25 17.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 29.1 mt -108.06 104.23 13.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.712 ' HB2' HD23 ' A' ' 130' ' ' LEU . 33.2 t80 -83.81 166.28 18.1 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.494 ' O ' ' C ' ' A' ' 12' ' ' SER . 53.3 t -141.18 78.36 1.64 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 108.311 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.494 ' C ' ' O ' ' A' ' 11' ' ' CYS . 0.8 OUTLIER -32.3 -40.66 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.02 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 11' ' ' CYS . 24.6 t30 -38.3 -64.82 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -109.09 -30.72 3.55 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.509 1.131 . . . . 0.0 111.023 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.488 ' HA2' ' CZ ' ' A' ' 10' ' ' TYR . . . 87.35 76.34 1.27 Allowed Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.579 ' CD2' ' HB2' ' A' ' 30' ' ' ARG . 49.8 m80 -151.04 158.03 43.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 0.774 . . . . 0.0 109.638 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.589 ' CD1' ' HB3' ' A' ' 8' ' ' LEU . 21.5 m-85 -96.86 141.4 30.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.5 tp -78.75 110.31 13.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.794 ' HB3' HG22 ' A' ' 37' ' ' ILE . 5.2 ptm180 -116.61 154.08 31.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.795 HD11 ' HB2' ' A' ' 60' ' ' LEU . 47.1 mt -125.24 111.01 26.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.518 HD21 ' NE ' ' A' ' 19' ' ' ARG . 33.6 mt -72.12 157.92 88.51 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.246 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 0.71 8.61 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.489 1.784 . . . . 0.0 110.976 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.66 -17.57 19.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.69 46.37 1.52 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.47 ' CG2' ' OD2' ' A' ' 27' ' ' ASP . 1.1 m -126.53 147.89 49.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 0.76 . . . . 0.0 110.409 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.7 t -134.47 110.87 13.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.13 . . . . 0.0 109.253 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.47 ' OD2' ' CG2' ' A' ' 25' ' ' THR . 0.7 OUTLIER -149.02 162.59 39.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.085 . . . . 0.0 109.313 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -79.47 136.31 17.0 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.564 1.165 . . . . 0.0 110.95 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.496 ' O ' ' C ' ' A' ' 30' ' ' ARG . 12.8 t -123.73 -1.12 8.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 0.787 . . . . 0.0 110.384 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.579 ' HB2' ' CD2' ' A' ' 16' ' ' HIS . 0.2 OUTLIER 31.55 41.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.276 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.677 ' O ' HD13 ' A' ' 37' ' ' ILE . 0.3 OUTLIER -130.88 128.43 40.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.486 ' HG2' ' CE2' ' A' ' 17' ' ' PHE . 2.3 mtm180 -88.76 -22.94 23.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.01 -57.17 14.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.965 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -43.92 148.51 0.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -102.7 -25.91 13.37 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.526 1.141 . . . . 0.0 110.327 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.571 ' CD2' ' HG2' ' A' ' 55' ' ' GLU . 70.5 m80 -59.66 -15.31 18.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.594 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.794 HG22 ' HB3' ' A' ' 19' ' ' ARG . 2.7 pt -80.28 -36.33 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.51 ' HG2' HG11 ' A' ' 132' ' ' VAL . 60.3 mt-30 -55.66 95.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.238 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 53' ' ' SER . 41.1 mt -100.66 147.64 25.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.465 ' HG3' HG21 ' A' ' 54' ' ' THR . 0.0 OUTLIER -103.4 117.3 34.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 0.0 110.323 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.6 mp -99.99 136.27 40.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.41 ' O ' ' HA ' ' A' ' 49' ' ' VAL . 9.6 m -141.37 160.86 39.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.98 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -115.82 124.04 49.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.467 ' HG2' ' OG ' ' A' ' 45' ' ' SER . 0.5 OUTLIER -105.78 -45.42 4.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 110.31 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.467 ' OG ' ' HG2' ' A' ' 44' ' ' GLU . 0.8 OUTLIER -128.83 166.75 18.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 110.026 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.6 p -61.15 121.68 9.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.257 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.48 14.66 79.38 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.538 1.149 . . . . 0.0 110.991 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.769 ' HB3' HD11 ' A' ' 79' ' ' LEU . 14.0 mt-10 -122.69 131.12 53.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 0.741 . . . . 0.0 110.313 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.538 ' O ' HD12 ' A' ' 79' ' ' LEU . 15.3 m -129.64 153.31 38.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.499 ' CZ ' ' HB2' ' A' ' 79' ' ' LEU . 1.4 m-85 -120.99 131.44 54.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.157 . . . . 0.0 110.975 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.63 HD12 HD23 ' A' ' 60' ' ' LEU . 20.9 mt -110.7 128.45 67.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.26 152.57 44.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.423 ' HA ' HD23 ' A' ' 39' ' ' LEU . 0.3 OUTLIER -92.0 128.55 37.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.057 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.465 HG21 ' HG3' ' A' ' 40' ' ' GLN . 20.7 p -90.41 8.53 33.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.132 . . . . 0.0 110.412 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.571 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 35.9 tp10 -103.36 -67.03 0.9 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.325 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 43.7 p -80.82 -41.98 22.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 110.381 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 102.52 39.15 2.84 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.132 . . . . 0.0 111.008 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -119.69 156.38 30.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.77 . . . . 0.0 110.299 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -98.84 139.29 34.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.974 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.795 ' HB2' HD11 ' A' ' 20' ' ' ILE . 4.0 tp -77.67 119.5 21.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.468 ' HB2' ' SG ' ' A' ' 78' ' ' CYS . . . -139.67 149.64 43.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 38.7 ttm -103.2 116.14 31.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.977 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -65.53 172.85 3.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.253 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.8 p -66.14 -35.97 81.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.385 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -54.46 -31.65 56.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 111.57 6.18 25.38 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.517 1.136 . . . . 0.0 110.976 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.447 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 0.8 OUTLIER -96.5 161.23 14.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 0.756 . . . . 0.0 109.308 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.793 HD11 HG13 ' A' ' 104' ' ' VAL . 9.9 mt -99.11 139.0 35.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.572 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 1.8 p90 -150.13 154.89 38.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -85.65 125.51 7.32 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.524 1.14 . . . . 0.0 110.97 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.3 t -90.33 139.74 30.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 0.747 . . . . 0.0 110.006 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.13 -36.86 84.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.279 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.9 p -123.12 159.02 56.08 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.403 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 103.23 1.7 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.493 1.786 . . . . 0.0 111.035 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 18.2 m-20 -115.37 157.41 23.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 109.323 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -47.38 -35.56 8.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 110.292 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -57.32 -21.31 34.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 110.301 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.468 ' SG ' ' HB2' ' A' ' 61' ' ' ALA . 74.4 m -85.24 -16.89 38.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 108.305 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.769 HD11 ' HB3' ' A' ' 48' ' ' GLU . 9.5 tp -87.45 128.09 35.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.453 ' C ' HD13 ' A' ' 81' ' ' LEU . 15.8 m-85 -128.07 166.05 19.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.5 HD12 ' HG2' ' A' ' 48' ' ' GLU . 0.6 OUTLIER -102.65 127.5 49.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.412 ' HA ' ' O ' ' A' ' 91' ' ' THR . 4.4 tm-20 -108.85 147.26 32.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 110.297 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.76 155.46 29.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 110.338 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.453 HD22 ' N ' ' A' ' 85' ' ' GLU . 2.0 tm? -92.4 120.75 33.21 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.469 ' HG3' ' CG2' ' A' ' 91' ' ' THR . 9.4 mm-40 -97.76 167.82 10.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.465 ' O ' ' O ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -46.51 177.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.31 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 36.8 m-20 62.89 -89.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 175.32 52.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.605 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.716 ' CE1' HD22 ' A' ' 128' ' ' LEU . 33.2 m-85 -128.35 164.92 21.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.103 . . . . 0.0 110.986 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -122.17 151.48 40.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.469 ' CG2' ' HG3' ' A' ' 85' ' ' GLU . 8.5 p -126.45 150.28 48.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.374 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -130.54 132.68 45.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 111.04 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.941 HD11 ' CE2' ' A' ' 103' ' ' PHE . 65.2 mt -130.7 143.48 40.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.404 ' O ' ' CA ' ' A' ' 98' ' ' ALA . 7.4 t -70.4 138.48 51.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.979 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 98' ' ' ALA . 0.4 OUTLIER -67.25 -77.16 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 95' ' ' LYS . 3.2 mttt -40.27 -30.88 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.418 ' N ' ' C ' ' A' ' 95' ' ' LYS . 0.7 OUTLIER -120.82 51.86 1.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.641 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 95' ' ' LYS . . . -87.25 -47.93 8.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -58.78 -20.58 51.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.291 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.562 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 3.8 mtpt -75.87 -3.78 37.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 45.98 64.26 1.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.168 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.562 ' CD1' ' O ' ' A' ' 100' ' ' LYS . 50.7 m0 -112.13 130.98 55.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 107.986 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.941 ' CE2' HD11 ' A' ' 93' ' ' ILE . 95.5 m-85 -116.26 148.83 40.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 110.959 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.793 HG13 HD11 ' A' ' 68' ' ' LEU . 21.3 t -85.42 118.03 31.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -158.45 161.57 31.81 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.546 1.154 . . . . 0.0 110.968 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.837 HD23 ' HA ' ' A' ' 112' ' ' CYS . 6.9 mt -125.45 156.89 38.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 0.783 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -82.77 -172.06 3.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.9 ttmt -78.0 -20.69 52.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -86.8 4.28 41.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.291 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 73.91 34.63 55.65 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.523 1.139 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.404 ' O ' ' HA ' ' A' ' 106' ' ' LEU . 96.3 p -111.6 146.43 37.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 0.783 . . . . 0.0 109.977 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' CYS . . . . . 0.837 ' HA ' HD23 ' A' ' 106' ' ' LEU . 17.2 p -65.89 135.5 54.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 108.297 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.0 ttmm -89.97 125.67 35.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.259 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.48 129.26 4.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.32 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.514 ' N ' ' CD ' ' A' ' 116' ' ' PRO . . . -54.41 -50.36 56.89 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.496 1.123 . . . . 0.0 110.946 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.514 ' CD ' ' N ' ' A' ' 115' ' ' GLY . 18.3 Cg_endo -74.96 33.57 0.38 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.476 1.777 . . . . 0.0 110.979 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.507 ' H ' ' C ' ' A' ' 115' ' ' GLY . 3.4 mmt-85 -143.03 22.65 1.91 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.254 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 2.6 p -114.27 160.7 18.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.363 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -175.63 179.58 1.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.577 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -79.49 144.33 34.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 108.96 -24.68 20.86 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -81.34 149.7 28.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 0.776 . . . . 0.0 110.257 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 3.1 ttmm -93.62 23.78 4.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -95.78 -56.47 2.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.138 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.706 HG22 ' CB ' ' A' ' 103' ' ' PHE . 12.1 pt -47.81 -41.54 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.423 ' HB3' ' CG ' ' A' ' 89' ' ' TYR . 31.3 mt -59.79 107.64 0.64 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -115.52 133.42 56.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.982 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.716 HD22 ' CE1' ' A' ' 89' ' ' TYR . 5.4 tp -114.59 104.18 54.53 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' PRO . . . . . 0.511 ' HA ' ' O ' ' A' ' 8' ' ' LEU . 18.1 Cg_endo -75.02 119.27 5.57 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.503 1.791 . . . . 0.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.712 HD23 ' HB2' ' A' ' 10' ' ' TYR . 3.7 mm? -97.4 127.18 38.96 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 128.01 11.1 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.449 1.762 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.768 HG12 ' O ' ' A' ' 6' ' ' PRO . 3.1 p -102.4 13.54 6.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.528 ' CB ' ' N ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -156.36 163.19 39.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.041 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.05 123.61 47.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.083 . . . . 0.0 109.996 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -168.02 162.62 13.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.476 ' HA ' HD22 ' A' ' 136' ' ' LEU . 0.2 OUTLIER -51.14 -178.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.416 ' CB ' ' O ' ' A' ' 136' ' ' LEU . 2.4 mt-10 166.97 95.8 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.298 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -72.31 -179.98 3.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.613 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -110.28 175.74 5.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.587 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 7.9 p-80 -77.18 177.18 8.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.586 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -117.82 171.68 7.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.585 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 13.1 m80 -88.03 170.36 11.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.62 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 19.2 p80 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.096 . . . . 0.0 109.611 -179.973 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.46 0.172 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 10.9 p-10 -135.84 98.59 3.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 109.271 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -130.02 125.33 35.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.77 167.37 20.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.409 ' N ' ' HD2' ' A' ' 5' ' ' LYS . 0.0 OUTLIER 67.32 156.93 0.14 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 168.69 24.25 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.462 1.769 . . . . 0.0 110.997 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.415 ' N ' ' CD ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -140.48 177.35 8.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.276 -179.932 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.735 HD22 HD12 ' A' ' 37' ' ' ILE . 2.7 mt -123.38 138.4 54.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.451 ' HB3' ' CD2' ' A' ' 127' ' ' PHE . 23.4 mt -91.99 110.85 22.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.505 ' CE1' ' HA2' ' A' ' 15' ' ' GLY . 54.3 t80 -88.3 151.87 22.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.409 ' O ' ' C ' ' A' ' 12' ' ' SER . 9.2 t -122.46 81.39 1.84 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 108.254 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.479 ' HA ' ' CE2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -38.07 -40.59 0.5 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.02 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.41 ' N ' ' HG2' ' A' ' 123' ' ' LYS . 48.0 t30 -67.68 70.34 0.12 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 12' ' ' SER . . . 121.25 -46.32 1.13 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.505 ' HA2' ' CE1' ' A' ' 10' ' ' TYR . . . 92.0 87.36 1.49 Allowed Glycine 0 CA--C 1.531 1.042 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.556 ' CD2' ' HG2' ' A' ' 30' ' ' ARG . 61.5 m80 -154.79 160.72 41.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 0.785 . . . . 0.0 109.651 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -113.22 141.58 46.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 111.021 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.768 ' CD1' HD21 ' A' ' 106' ' ' LEU . 11.5 tp -79.01 122.41 26.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.591 ' HB3' HG22 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -125.25 151.31 46.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.687 HD11 ' HB2' ' A' ' 60' ' ' LEU . 71.4 mt -124.5 111.74 29.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.482 HD21 ' HD2' ' A' ' 19' ' ' ARG . 29.2 mt -82.07 157.65 68.3 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 0.57 8.77 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.464 1.771 . . . . 0.0 110.981 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.91 3.27 49.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.76 47.99 7.46 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.565 1.166 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.8 m -125.61 141.16 52.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 0.751 . . . . 0.0 110.37 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.1 t -135.06 113.28 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -148.66 162.11 40.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.107 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -84.7 142.25 20.01 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.47 1.107 . . . . 0.0 111.059 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.555 HG21 ' OD2' ' A' ' 34' ' ' ASP . 9.0 t -146.19 132.99 20.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 0.754 . . . . 0.0 110.399 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.556 ' HG2' ' CD2' ' A' ' 16' ' ' HIS . 9.3 ptt180 -103.59 56.11 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.321 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -142.51 88.28 2.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 33' ' ' SER . 0.1 OUTLIER -39.97 -36.38 0.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.266 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 32' ' ' ARG . 0.1 OUTLIER -38.32 -51.16 1.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.971 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.555 ' OD2' HG21 ' A' ' 29' ' ' THR . 0.6 OUTLIER -44.38 141.34 1.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -107.97 -16.35 14.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.331 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.4 ' CD2' ' HG2' ' A' ' 55' ' ' GLU . 9.0 m80 -76.0 -7.42 54.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.597 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.735 HD12 HD22 ' A' ' 8' ' ' LEU . 14.6 pt -83.37 -16.74 11.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.42 ' HG2' HG11 ' A' ' 132' ' ' VAL . 28.4 mt-30 -67.16 83.63 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.255 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.688 HD23 ' HA ' ' A' ' 53' ' ' SER . 44.9 mt -93.98 144.18 25.69 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.587 1.18 . . . . 0.0 109.345 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.58 ' HG3' HG21 ' A' ' 54' ' ' THR . 0.0 OUTLIER -106.87 114.9 29.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.302 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.868 HD11 HG23 ' A' ' 51' ' ' ILE . 0.3 OUTLIER -95.52 133.69 39.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.329 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.434 ' O ' ' HA ' ' A' ' 49' ' ' VAL . 2.4 m -133.73 161.31 35.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.004 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -118.79 130.22 55.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.619 ' OE2' ' CD2' ' A' ' 50' ' ' TYR . 62.5 mt-10 -117.54 -51.06 2.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 110.307 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.39 165.69 20.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.979 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 40.7 t -54.44 125.08 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.448 ' O ' ' HA ' ' A' ' 81' ' ' LEU . . . 65.58 13.85 59.31 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.413 ' HB3' HD11 ' A' ' 79' ' ' LEU . 4.7 mt-10 -114.18 120.9 42.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 0.746 . . . . 0.0 110.312 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.434 ' HA ' ' O ' ' A' ' 42' ' ' SER . 13.9 m -130.69 148.57 33.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.764 ' CE2' HD22 ' A' ' 79' ' ' LEU . 1.6 m-85 -114.92 131.48 56.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.868 HG23 HD11 ' A' ' 41' ' ' LEU . 4.6 mt -111.88 118.56 57.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.31 152.7 51.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.688 ' HA ' HD23 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -86.6 137.21 32.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.023 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.58 HG21 ' HG3' ' A' ' 40' ' ' GLN . 44.0 p -100.23 11.02 40.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.372 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.4 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 11.2 tp10 -109.16 -72.47 0.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 27.0 p -70.26 -63.08 1.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.403 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 126.49 41.21 0.33 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.49 1.118 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -127.04 161.0 29.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 0.789 . . . . 0.0 110.301 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 5.5 m-30 -104.48 146.54 28.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.687 ' HB2' HD11 ' A' ' 20' ' ' ILE . 5.8 tp -81.53 114.67 20.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.443 1.089 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -137.22 154.84 50.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.41 ' HE2' ' HB2' ' A' ' 62' ' ' MET . 20.7 tpp -106.12 136.74 45.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 0.0 110.982 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.521 ' OD2' ' CD2' ' A' ' 69' ' ' TYR . 0.5 OUTLIER -92.94 -169.69 2.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 76.7 p -77.46 -27.16 51.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.415 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.442 ' CB ' HD22 ' A' ' 67' ' ' LEU . 11.3 m-20 -69.57 -8.2 45.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 82.91 6.63 88.21 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.502 1.126 . . . . 0.0 111.025 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.442 HD22 ' CB ' ' A' ' 65' ' ' ASP . 0.5 OUTLIER -97.27 161.65 13.71 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 0.761 . . . . 0.0 109.34 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.3 mt -97.62 145.1 26.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.521 ' CD2' ' OD2' ' A' ' 63' ' ' ASP . 4.7 p90 -148.63 167.6 25.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.991 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -87.9 124.95 7.37 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.54 1.15 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.4 p -86.04 135.54 33.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 0.0 110.012 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.39 -26.82 46.64 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.58 1.175 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.4 p -135.41 159.41 71.79 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 110.378 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 108.19 2.66 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.502 1.79 . . . . 0.0 111.029 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -127.19 154.32 44.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -45.05 -29.87 0.96 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 110.304 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -57.41 -34.29 68.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.269 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 58.4 m -73.34 -20.13 60.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 108.279 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.764 HD22 ' CE2' ' A' ' 50' ' ' TYR . 2.3 tp -87.15 120.8 28.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.539 ' C ' HD13 ' A' ' 81' ' ' LEU . 9.2 m-85 -117.27 164.87 14.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.571 HD21 ' HA ' ' A' ' 95' ' ' LYS . 0.3 OUTLIER -103.79 126.03 50.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -108.75 149.95 28.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 110.329 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.04 164.47 34.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 110.298 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.22 105.84 17.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.601 ' OE2' ' CE1' ' A' ' 120' ' ' TYR . 3.9 mm-40 -98.07 161.38 13.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -59.4 -178.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 31.7 m-20 62.64 13.91 6.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.335 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 56.36 57.82 4.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.584 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.764 ' CD1' HD13 ' A' ' 128' ' ' LEU . 3.7 m-85 -137.91 156.42 47.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -112.46 156.02 23.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.496 HG21 ' HG3' ' A' ' 85' ' ' GLU . 76.4 p -129.3 170.58 13.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.395 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.443 ' CD1' ' O ' ' A' ' 91' ' ' THR . 45.0 m-85 -149.41 133.21 16.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.583 HD11 ' CE2' ' A' ' 103' ' ' PHE . 55.5 mt -131.31 147.86 32.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.8 t -71.55 138.51 48.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.047 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.571 ' HA ' HD21 ' A' ' 81' ' ' LEU . 2.3 tttt -73.39 -58.3 3.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -42.21 -28.44 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.263 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.613 ' CE1' ' CZ3' ' A' ' 102' ' ' TRP . 27.5 m-70 -102.42 -89.0 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.113 . . . . 0.0 109.596 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 97' ' ' HIS . . . 67.53 -68.84 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 97' ' ' HIS . 2.2 mt-10 -54.79 -24.58 23.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.565 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 10.9 mttt -77.41 -11.41 59.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 49.13 64.18 1.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.33 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.613 ' CZ3' ' CE1' ' A' ' 97' ' ' HIS . 49.3 m0 -112.64 132.74 55.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 107.993 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.583 ' CE2' HD11 ' A' ' 93' ' ' ILE . 65.0 m-85 -113.84 148.89 35.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.497 ' O ' ' C ' ' A' ' 105' ' ' GLY . 36.2 t -69.93 -24.98 27.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.534 ' HA2' ' CE1' ' A' ' 127' ' ' PHE . . . -30.02 142.55 0.02 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.517 1.135 . . . . 0.0 110.969 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.768 HD21 ' CD1' ' A' ' 18' ' ' LEU . 0.7 OUTLIER -106.77 159.27 16.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 0.76 . . . . 0.0 109.334 179.935 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 111' ' ' SER . 4.6 mtpt -68.38 -171.98 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.65 -9.19 23.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.261 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -90.72 21.68 3.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 63.02 41.28 99.91 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.447 1.092 . . . . 0.0 111.003 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 107' ' ' LYS . 0.7 OUTLIER -138.07 160.86 38.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.774 . . . . 0.0 110.021 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 112' ' ' CYS . . . . . 0.722 ' HA ' HD23 ' A' ' 106' ' ' LEU . 28.0 p -75.64 135.26 40.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 108.245 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.702 ' HD3' HG22 ' A' ' 118' ' ' THR . 6.6 tttt -90.48 112.93 24.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 113' ' ' LYS . 1.8 mpp_? -37.0 138.8 0.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.32 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.504 ' C ' ' H ' ' A' ' 117' ' ' ARG . . . -50.96 -55.93 16.34 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.515 1.134 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.419 ' CD ' ' N ' ' A' ' 115' ' ' GLY . 18.3 Cg_endo -74.96 32.16 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.498 1.789 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.504 ' H ' ' C ' ' A' ' 115' ' ' GLY . 5.7 mmt180 -142.42 22.39 2.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.341 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.702 HG22 ' HD3' ' A' ' 113' ' ' LYS . 6.0 p -118.72 167.2 11.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.368 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.669 ' O ' HD13 ' A' ' 125' ' ' ILE . 3.2 m80 -151.66 169.47 22.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.624 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.601 ' CE1' ' OE2' ' A' ' 85' ' ' GLU . 0.2 OUTLIER -89.84 128.47 36.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 111.041 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 121' ' ' GLY . . . . . 0.571 ' H ' HD11 ' A' ' 125' ' ' ILE . . . 100.26 26.69 8.13 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.485 1.115 . . . . 0.0 110.999 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -112.6 135.74 52.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.765 . . . . 0.0 110.257 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.537 ' HA ' HD12 ' A' ' 126' ' ' LEU . 0.1 OUTLIER -55.29 -19.59 8.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.01 -63.47 1.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.117 . . . . 0.0 109.271 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.669 HD13 ' O ' ' A' ' 119' ' ' HIS . 1.3 pt -57.55 -37.46 58.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.61 HD22 ' HB2' ' A' ' 89' ' ' TYR . 54.2 mt -59.93 102.71 0.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.534 ' CE1' ' HA2' ' A' ' 105' ' ' GLY . 2.4 m-30 -115.22 152.47 32.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 111.024 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.764 HD13 ' CD1' ' A' ' 89' ' ' TYR . 5.4 tp -128.97 121.17 20.66 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' PRO . . . . . 0.444 ' HA ' ' O ' ' A' ' 8' ' ' LEU . 18.4 Cg_endo -74.97 116.87 4.72 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.483 1.78 . . . . 0.0 111.058 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.509 ' CD2' ' O ' ' A' ' 128' ' ' LEU . 3.5 mm? -96.79 141.33 22.92 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 130' ' ' LEU . 18.3 Cg_endo -74.95 126.57 10.09 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.451 1.764 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.475 ' CG2' HD11 ' A' ' 8' ' ' LEU . 0.9 OUTLIER -134.99 150.3 29.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 3.0 t 64.26 86.03 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.994 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.07 178.82 0.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.943 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -159.1 142.08 14.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -114.05 139.13 49.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.337 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -143.51 108.87 5.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 110.337 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -54.84 162.1 1.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.606 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -177.93 151.1 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.165 . . . . 0.0 109.574 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -123.92 141.64 51.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.634 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -125.75 -63.68 1.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.599 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -67.1 156.21 36.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.593 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 10.8 p80 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.622 179.959 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 mmt . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.491 0.186 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -159.6 147.92 17.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -165.37 89.86 0.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.43 171.37 10.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.4 tttm -139.81 78.02 26.07 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.503 ' O ' HG12 ' A' ' 132' ' ' VAL . 18.3 Cg_endo -75.01 174.1 13.37 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.492 1.785 . . . . 0.0 111.036 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.471 ' C ' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -145.76 155.97 43.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.568 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 0.4 OUTLIER -103.38 140.25 37.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.338 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.492 HD12 ' CD2' ' A' ' 127' ' ' PHE . 0.2 OUTLIER -91.55 104.46 16.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -83.59 120.01 25.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.992 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 15' ' ' GLY . 0.5 OUTLIER -106.14 78.76 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 108.305 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.459 ' HB3' ' CG ' ' A' ' 123' ' ' LYS . 4.2 t -38.46 -38.03 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.001 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.427 ' N ' ' HG2' ' A' ' 123' ' ' LYS . 53.3 t30 -40.24 -33.04 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.31 -45.47 0.06 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.55 1.156 . . . . 0.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.449 ' C ' ' ND1' ' A' ' 16' ' ' HIS . . . 103.62 63.38 0.69 Allowed Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.449 ' ND1' ' C ' ' A' ' 15' ' ' GLY . 2.4 m80 -143.77 156.02 44.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 0.754 . . . . 0.0 109.58 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.568 ' CD1' ' HB3' ' A' ' 8' ' ' LEU . 20.8 m-85 -103.85 143.47 32.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 110.962 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.776 ' CD1' HD21 ' A' ' 106' ' ' LEU . 11.2 tp -77.31 125.43 29.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.814 ' HB3' HG22 ' A' ' 37' ' ' ILE . 2.2 ptm180 -129.17 155.28 45.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.305 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.494 HD11 ' HB2' ' A' ' 60' ' ' LEU . 54.6 mt -124.47 113.94 38.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.827 HD12 ' HB ' ' A' ' 25' ' ' THR . 27.0 mt -72.43 156.89 89.92 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -5.06 16.32 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.49 1.784 . . . . 0.0 111.031 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.5 -15.71 26.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.12 44.07 1.95 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.533 1.146 . . . . 0.0 110.961 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.827 ' HB ' HD12 ' A' ' 21' ' ' LEU . 3.8 m -124.76 147.9 48.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.407 0.71 . . . . 0.0 110.39 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.3 t -129.27 118.79 47.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -147.98 161.35 41.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -84.48 147.37 23.15 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.46 1.1 . . . . 0.0 110.974 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.666 ' CG2' HG21 ' A' ' 37' ' ' ILE . 2.9 t -151.66 141.66 22.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 0.739 . . . . 0.0 110.452 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.439 ' HG2' ' CD2' ' A' ' 16' ' ' HIS . 0.6 OUTLIER -127.97 33.92 4.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 33' ' ' SER . 9.3 t0 -93.03 -14.41 27.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.464 ' O ' ' C ' ' A' ' 33' ' ' SER . 8.1 mtm180 65.9 -60.99 0.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.517 ' N ' ' O ' ' A' ' 31' ' ' ASP . 0.1 OUTLIER -34.52 -38.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.002 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.477 ' HB3' HG23 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -44.78 143.84 1.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -106.9 -29.71 9.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.28 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -63.88 -23.16 67.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.578 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.814 HG22 ' HB3' ' A' ' 19' ' ' ARG . 39.7 pt -66.93 -29.53 46.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -67.51 82.98 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.32 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 39.7 mt -96.6 146.95 24.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.35 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.843 ' HG2' HG22 ' A' ' 54' ' ' THR . 0.0 OUTLIER -105.21 114.61 28.91 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.472 1.108 . . . . 0.0 110.257 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.804 HD11 HG23 ' A' ' 51' ' ' ILE . 0.3 OUTLIER -92.21 136.43 33.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.412 ' O ' ' HA ' ' A' ' 49' ' ' VAL . 3.6 m -135.3 161.34 35.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.967 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -117.29 126.92 53.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.454 ' HG2' ' OG ' ' A' ' 45' ' ' SER . 0.3 OUTLIER -107.97 -45.18 4.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.291 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.454 ' OG ' ' HG2' ' A' ' 44' ' ' GLU . 0.9 OUTLIER -128.67 168.16 16.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.01 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.1 t -60.8 123.38 13.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.35 9.14 72.39 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.486 1.116 . . . . 0.0 111.018 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.426 ' HB3' HD11 ' A' ' 79' ' ' LEU . 9.0 mt-10 -114.41 134.77 54.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 0.778 . . . . 0.0 110.275 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.412 ' HA ' ' O ' ' A' ' 42' ' ' SER . 5.7 m -137.18 148.62 26.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.452 ' CD2' HD13 ' A' ' 79' ' ' LEU . 0.9 OUTLIER -117.09 131.61 56.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 110.99 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.804 HG23 HD11 ' A' ' 41' ' ' LEU . 12.5 mt -108.35 120.99 60.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.482 ' HB2' ' CD1' ' A' ' 59' ' ' TYR . 10.2 tttt -136.58 146.5 46.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.0 t -83.39 132.33 34.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.009 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.843 HG22 ' HG2' ' A' ' 40' ' ' GLN . 48.1 p -83.57 -17.76 40.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.382 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -81.78 -76.33 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.417 ' OG1' ' N ' ' A' ' 57' ' ' GLY . 37.5 p -67.22 -63.86 0.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.373 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.417 ' N ' ' OG1' ' A' ' 56' ' ' THR . . . 133.05 -20.98 4.2 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.36 -175.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 0.75 . . . . 0.0 110.329 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.482 ' CD1' ' HB2' ' A' ' 52' ' ' LYS . 97.6 m-85 -131.48 173.12 11.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.994 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.494 ' HB2' HD11 ' A' ' 20' ' ' ILE . 6.6 tp -105.43 113.57 27.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.551 ' HB2' ' SG ' ' A' ' 78' ' ' CYS . . . -137.79 147.67 44.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.4 ' O ' ' NE2' ' A' ' 97' ' ' HIS . 46.3 ttm -106.0 116.7 32.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 110.959 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.31 -165.52 0.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 72.0 p -78.96 -21.75 46.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.373 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.81 -14.84 63.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.64 -15.1 61.17 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.504 1.127 . . . . 0.0 110.99 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.2 mp -85.11 163.7 18.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 0.0 109.261 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.735 HD11 HG13 ' A' ' 104' ' ' VAL . 13.5 mt -98.07 145.6 26.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.348 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.462 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 5.4 p90 -140.35 161.14 38.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -80.29 112.28 3.43 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.559 1.162 . . . . 0.0 111.03 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.45 116.86 28.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 0.769 . . . . 0.0 110.013 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.09 -57.87 8.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 110.336 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.3 p -106.13 157.56 34.55 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.434 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 120.74 6.2 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.502 1.79 . . . . 0.0 111.029 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 78' ' ' CYS . 54.2 p30 -127.27 159.26 34.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 109.341 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -49.29 -23.83 1.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.298 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.442 ' HG2' ' HE1' ' A' ' 97' ' ' HIS . 20.8 mt-10 -71.68 -20.87 61.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.321 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.551 ' SG ' ' HB2' ' A' ' 61' ' ' ALA . 49.8 m -83.61 -14.84 51.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 108.32 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.452 HD13 ' CD2' ' A' ' 50' ' ' TYR . 3.2 tp -83.28 127.66 33.83 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.559 1.162 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -128.93 164.87 22.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.153 . . . . 0.0 111.018 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.713 HD22 ' N ' ' A' ' 81' ' ' LEU . 0.1 OUTLIER -103.62 125.74 50.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.491 ' HG3' ' CE1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -107.55 146.26 32.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.72 161.28 42.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 110.323 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.638 HD13 ' N ' ' A' ' 85' ' ' GLU . 1.3 tm? -92.41 134.44 34.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.943 ' OE2' HG21 ' A' ' 91' ' ' THR . 8.5 mt-10 -127.06 165.46 19.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -60.8 179.91 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.087 . . . . 0.0 110.301 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.554 ' HB3' ' CD2' ' A' ' 89' ' ' TYR . 30.5 m-20 61.2 16.03 6.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 55.76 54.05 8.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.555 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.554 ' CD2' ' HB3' ' A' ' 87' ' ' ASN . 8.7 m-85 -130.79 170.07 14.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.983 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -120.36 170.03 9.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.943 HG21 ' OE2' ' A' ' 85' ' ' GLU . 1.1 p -144.11 141.52 30.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 110.391 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.491 ' CE1' ' HG3' ' A' ' 82' ' ' GLU . 91.0 m-85 -132.27 132.44 43.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.742 HD11 ' CE1' ' A' ' 103' ' ' PHE . 17.4 mt -130.36 143.82 39.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.538 ' O ' ' HB2' ' A' ' 98' ' ' ALA . 0.1 OUTLIER -70.13 137.78 51.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 110.027 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.76 -67.79 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.4 ' HB3' ' CE1' ' A' ' 97' ' ' HIS . 19.4 tttt -52.29 -25.18 8.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.442 ' HE1' ' HG2' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -122.0 44.96 2.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.575 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.538 ' HB2' ' O ' ' A' ' 94' ' ' SER . . . -91.49 -47.22 7.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.345 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -57.46 -26.21 60.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.303 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.512 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 0.0 OUTLIER -78.46 -2.3 37.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.358 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 48.19 65.56 1.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.554 ' CD1' ' HA ' ' A' ' 116' ' ' PRO . 49.2 m0 -111.37 131.77 54.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 107.98 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.742 ' CE1' HD11 ' A' ' 93' ' ' ILE . 97.2 m-85 -110.77 148.84 31.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.735 HG13 HD11 ' A' ' 68' ' ' LEU . 69.1 t -65.01 -92.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.346 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.431 ' N ' HG12 ' A' ' 104' ' ' VAL . . . 52.89 169.79 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.488 1.117 . . . . 0.0 111.018 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.908 HD23 ' HA ' ' A' ' 112' ' ' CYS . 71.1 mt -138.08 159.67 41.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 0.761 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.01 -177.11 6.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.45 -14.91 51.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -86.87 -3.91 59.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.334 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 82.75 42.77 8.1 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.492 1.12 . . . . 0.0 111.04 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -136.96 151.74 49.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 0.766 . . . . 0.0 109.993 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' CYS . . . . . 0.908 ' HA ' HD23 ' A' ' 106' ' ' LEU . 7.4 m -66.3 135.94 55.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 108.291 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 114' ' ' ARG . 0.0 OUTLIER -89.55 130.78 35.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.283 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.449 ' C ' ' O ' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -34.74 128.9 0.45 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 110.333 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.59 ' N ' ' CD ' ' A' ' 116' ' ' PRO . . . -59.36 -45.85 94.8 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.562 1.164 . . . . 0.0 110.987 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' A' ' 115' ' ' GLY . 18.2 Cg_endo -75.01 7.14 3.0 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.552 1.817 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 8.2 mmt180 -125.6 47.07 2.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.296 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.409 HG22 ' CE ' ' A' ' 113' ' ' LYS . 4.1 p -125.32 168.56 13.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.349 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 52.9 m80 -144.74 160.31 41.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.553 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -90.4 133.06 35.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 97.93 11.11 50.88 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.531 1.144 . . . . 0.0 110.973 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -91.68 150.17 21.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 0.768 . . . . 0.0 110.275 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.459 ' CG ' ' HB3' ' A' ' 12' ' ' SER . 1.3 ttpt -74.03 -8.8 57.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.424 1.078 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.51 -62.7 1.58 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.516 HG22 ' CB ' ' A' ' 103' ' ' PHE . 6.5 pt -53.62 -39.49 38.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.437 HD23 HG23 ' A' ' 91' ' ' THR . 92.8 mt -63.12 130.87 46.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 109.333 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.492 ' CD2' HD12 ' A' ' 9' ' ' LEU . 0.5 OUTLIER -132.38 155.44 48.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.986 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.698 HD23 ' HD2' ' A' ' 129' ' ' PRO . 0.4 OUTLIER -131.85 114.06 15.22 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 129' ' ' PRO . . . . . 0.698 ' HD2' HD23 ' A' ' 128' ' ' LEU . 18.2 Cg_endo -75.03 115.69 4.36 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.528 1.804 . . . . 0.0 111.001 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.513 ' CD2' ' O ' ' A' ' 128' ' ' LEU . 3.4 mm? -92.93 141.47 24.23 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 109.287 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 109.74 2.99 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.497 1.788 . . . . 0.0 110.959 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.503 HG12 ' O ' ' A' ' 6' ' ' PRO . 5.1 p -118.24 142.11 34.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 12.3 t 62.5 135.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.008 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.86 175.06 0.17 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 109.965 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' ' 136' ' ' LEU . 0.3 OUTLIER -119.02 -50.52 2.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.439 ' O ' ' CB ' ' A' ' 137' ' ' GLU . 0.1 OUTLIER 46.41 -171.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.439 ' CB ' ' O ' ' A' ' 136' ' ' LEU . 2.1 mt-10 165.19 95.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.304 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 3.0 t60 62.09 127.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.592 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -142.61 -77.54 0.25 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.618 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 22.1 t60 49.76 97.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.599 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.0 168.21 4.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.624 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -67.06 117.04 8.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 109.635 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.632 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.513 0.197 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 51.3 p-10 -137.41 158.32 44.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -123.4 127.28 48.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -69.12 131.94 45.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.4 mttm -157.67 162.95 26.28 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 154.84 42.86 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.539 1.81 . . . . 0.0 110.984 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.33 158.86 43.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.453 ' O ' ' HA ' ' A' ' 129' ' ' PRO . 4.8 mt -108.07 141.53 39.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.486 HD22 ' N ' ' A' ' 9' ' ' LEU . 2.4 mm? -91.93 113.35 25.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.582 1.176 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.644 ' HB2' HD23 ' A' ' 130' ' ' LEU . 86.7 t80 -98.83 115.82 29.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 111.016 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 13' ' ' ASN . 12.7 t -88.92 88.52 7.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 108.28 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 11' ' ' CYS . 37.5 p -37.67 -31.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.984 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 11' ' ' CYS . 9.2 t-20 -43.95 -55.44 4.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.469 ' CA ' ' HG3' ' A' ' 108' ' ' LYS . . . -120.15 -33.51 1.04 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.504 1.128 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.469 ' HA2' ' CE1' ' A' ' 10' ' ' TYR . . . 93.89 57.23 1.33 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -123.77 164.87 18.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 0.752 . . . . 0.0 109.576 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -107.77 142.21 38.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 111.012 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.678 HD12 HD21 ' A' ' 106' ' ' LEU . 10.9 tp -78.46 112.25 15.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.865 ' HB3' HG22 ' A' ' 37' ' ' ILE . 5.3 ptm180 -115.84 149.74 38.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.312 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.64 HD11 ' HB2' ' A' ' 60' ' ' LEU . 20.8 mt -125.15 117.53 50.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.526 HD12 ' HB ' ' A' ' 25' ' ' THR . 20.1 mt -83.34 156.06 66.17 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -2.34 12.42 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.501 1.79 . . . . 0.0 110.994 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -95.61 2.79 54.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.36 45.12 8.25 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.523 1.14 . . . . 0.0 110.964 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.526 ' HB ' HD12 ' A' ' 21' ' ' LEU . 3.1 m -124.68 147.73 48.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 0.775 . . . . 0.0 110.353 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.1 t -132.35 119.75 40.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -145.79 161.08 40.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.72 136.68 13.0 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.504 1.128 . . . . 0.0 110.977 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.423 ' CG2' HG21 ' A' ' 37' ' ' ILE . 4.4 t -139.42 139.91 37.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 0.745 . . . . 0.0 110.425 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.6 ttt-85 -110.81 47.81 0.96 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.284 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -136.47 99.38 4.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.337 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.8 mtm180 -52.05 -28.54 17.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.31 -48.8 3.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.009 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.79 145.32 41.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' A' ' 38' ' ' GLN . 6.0 mm100 -106.14 -40.19 5.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.264 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.514 ' CD2' ' HG2' ' A' ' 55' ' ' GLU . 41.9 m80 -46.22 -28.8 1.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.604 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.865 HG22 ' HB3' ' A' ' 19' ' ' ARG . 13.9 pt -57.73 -40.6 76.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 35' ' ' GLN . 27.5 mt-30 -46.26 101.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.601 HD23 ' HA ' ' A' ' 53' ' ' SER . 17.4 mt -106.72 147.45 29.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.456 ' HB2' ' CG2' ' A' ' 54' ' ' THR . 0.0 OUTLIER -105.14 115.12 29.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 110.313 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.8 mp -100.53 136.28 40.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.142 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.415 ' O ' ' HA ' ' A' ' 49' ' ' VAL . 36.5 t -141.34 162.94 34.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 110.01 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -118.95 125.96 50.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.405 ' HG2' ' OG ' ' A' ' 45' ' ' SER . 0.4 OUTLIER -110.47 -40.81 4.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 110.3 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.405 ' OG ' ' HG2' ' A' ' 44' ' ' GLU . 0.8 OUTLIER -127.59 166.46 17.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.985 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 74.7 t -64.1 118.91 7.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.69 7.3 87.28 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.121 . . . . 0.0 110.997 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.785 ' HG2' HD23 ' A' ' 81' ' ' LEU . 23.8 mt-10 -115.28 135.36 54.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 0.777 . . . . 0.0 110.311 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.415 ' HA ' ' O ' ' A' ' 42' ' ' SER . 20.7 m -133.19 153.08 36.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -118.77 132.2 56.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 16.8 mt -113.27 122.09 66.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 26.6 ttpt -138.8 145.89 40.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.601 ' HA ' HD23 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -78.7 136.22 37.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.578 1.174 . . . . 0.0 110.025 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.456 ' CG2' ' HB2' ' A' ' 40' ' ' GLN . 61.6 p -91.46 -7.98 49.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 110.388 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.514 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.8 OUTLIER -94.59 -77.47 0.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.289 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 35.1 p -62.75 -61.8 2.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.407 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 118.46 43.05 0.56 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -120.22 162.9 18.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 0.756 . . . . 0.0 110.321 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -108.31 139.07 43.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.64 ' HB2' HD11 ' A' ' 20' ' ' ILE . 5.8 tp -77.37 115.92 17.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.498 ' HB2' ' SG ' ' A' ' 78' ' ' CYS . . . -135.89 154.82 51.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.425 ' HE2' ' HB2' ' A' ' 62' ' ' MET . 29.6 tpp -103.55 136.33 43.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 111.048 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.431 ' OD1' ' N ' ' A' ' 67' ' ' LEU . 0.9 OUTLIER -92.58 173.23 7.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 109.331 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 69.9 p -65.04 -22.22 66.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.359 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.478 ' HB3' HD13 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -74.68 -3.82 33.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.81 5.61 89.39 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.471 1.107 . . . . 0.0 111.03 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.478 HD13 ' HB3' ' A' ' 65' ' ' ASP . 4.0 mp -91.71 168.06 11.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 0.788 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 1.004 HD11 HG13 ' A' ' 104' ' ' VAL . 34.5 mt -108.01 138.61 43.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.554 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 2.9 p90 -148.31 161.02 42.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.989 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -91.01 125.67 8.09 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.434 1.084 . . . . 0.0 111.018 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.6 t -91.76 139.67 30.45 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.46 0.741 . . . . 0.0 109.987 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.7 -37.27 85.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.256 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.9 p -124.55 160.36 53.67 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 110.421 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 105.13 2.02 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.504 1.791 . . . . 0.0 111.024 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -115.16 157.16 24.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.351 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.57 -32.1 5.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.276 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -59.31 -26.37 64.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.324 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.498 ' SG ' ' HB2' ' A' ' 61' ' ' ALA . 51.9 m -80.2 -16.39 54.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 108.298 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.589 HD11 ' HB3' ' A' ' 48' ' ' GLU . 2.4 tp -85.32 120.86 27.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.227 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -118.45 165.23 14.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 111.036 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.785 HD23 ' HG2' ' A' ' 48' ' ' GLU . 5.8 mt -103.66 120.58 41.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -109.31 145.95 35.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.081 . . . . 0.0 110.335 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.09 156.36 32.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 110.317 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.8 tt -92.68 120.12 32.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.488 ' OE1' ' CD2' ' A' ' 126' ' ' LEU . 0.0 OUTLIER -106.15 156.05 18.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.516 ' O ' ' CB ' ' A' ' 87' ' ' ASN . 32.8 mt-10 -65.66 97.44 0.32 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.457 1.098 . . . . 0.0 110.265 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.516 ' CB ' ' O ' ' A' ' 86' ' ' GLU . 3.3 m-80 153.98 41.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.337 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.516 ' C ' ' O ' ' A' ' 87' ' ' ASN . 15.2 t-80 30.6 46.92 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.57 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.461 ' CE1' HD22 ' A' ' 128' ' ' LEU . 3.7 m-85 -145.25 163.44 34.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 111.036 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -123.4 159.25 29.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.2 p -130.41 158.19 40.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.379 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.443 ' HE2' HD12 ' A' ' 9' ' ' LEU . 46.0 m-85 -136.92 133.86 36.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 111.034 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.663 HD11 ' CE1' ' A' ' 103' ' ' PHE . 62.0 mt -135.79 152.38 30.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.03 139.02 46.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.987 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 23.4 tttt -70.23 -58.23 4.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -56.44 -25.48 50.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -123.74 50.93 1.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.605 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -83.63 -38.25 21.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.336 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -74.62 -17.06 60.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.511 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 33.5 mttt -78.52 -6.98 56.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.148 . . . . 0.0 109.261 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 48.56 64.05 1.84 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.511 ' CD1' ' O ' ' A' ' 100' ' ' LYS . 47.1 m0 -112.42 131.8 55.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 108.006 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.663 ' CE1' HD11 ' A' ' 93' ' ' ILE . 98.2 m-85 -114.49 148.75 37.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.959 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 1.004 HG13 HD11 ' A' ' 68' ' ' LEU . 88.9 t -66.83 -79.21 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' A' ' 104' ' ' VAL . . . 53.22 166.17 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.121 . . . . 0.0 111.0 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.81 HD23 ' HA ' ' A' ' 112' ' ' CYS . 42.8 mt -139.29 135.06 33.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 0.772 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.566 ' N ' ' O ' ' A' ' 111' ' ' SER . 0.0 OUTLIER -67.63 149.26 50.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.573 1.171 . . . . 0.0 109.303 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.469 ' HG3' ' CA ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER -65.53 -9.76 29.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -84.97 -3.07 58.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 85.82 39.09 8.28 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.448 1.093 . . . . 0.0 110.969 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.566 ' O ' ' N ' ' A' ' 107' ' ' LYS . 74.4 m -136.04 168.03 20.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 0.763 . . . . 0.0 110.038 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' CYS . . . . . 0.81 ' HA ' HD23 ' A' ' 106' ' ' LEU . 23.0 p -83.03 135.69 34.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 108.256 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.525 ' HD3' HG22 ' A' ' 118' ' ' THR . 0.6 OUTLIER -89.6 124.61 34.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.41 152.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.325 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.484 ' C ' ' H ' ' A' ' 117' ' ' ARG . . . -72.36 -55.7 6.71 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.504 1.128 . . . . 0.0 110.971 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.422 ' CD ' ' N ' ' A' ' 115' ' ' GLY . 18.1 Cg_endo -75.03 36.48 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.521 1.801 . . . . 0.0 111.03 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.484 ' H ' ' C ' ' A' ' 115' ' ' GLY . 2.6 mmt-85 -142.6 18.04 2.01 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.525 HG22 ' HD3' ' A' ' 113' ' ' LYS . 1.7 p -118.54 166.9 12.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 110.392 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -169.53 166.63 10.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.575 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -73.09 133.64 44.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 110.946 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 118.71 -25.79 7.88 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -76.34 149.24 37.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 110.317 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 18.7 tttt -93.01 26.5 2.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -100.86 -47.68 4.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 8.2 pt -58.7 -36.88 62.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.28 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.488 ' CD2' ' OE1' ' A' ' 85' ' ' GLU . 50.3 mt -55.11 127.49 29.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -138.32 146.27 42.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 111.05 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.678 ' O ' HD22 ' A' ' 130' ' ' LEU . 6.1 tp -133.02 114.88 14.0 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' PRO . . . . . 0.453 ' HA ' ' O ' ' A' ' 8' ' ' LEU . 18.4 Cg_endo -74.99 109.49 2.94 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.49 1.784 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.678 HD22 ' O ' ' A' ' 128' ' ' LEU . 2.9 mm? -91.38 132.8 32.75 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 130' ' ' LEU . 18.3 Cg_endo -75.03 104.42 1.9 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.499 1.789 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 8.1 p -82.02 -7.1 10.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -160.39 149.69 17.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.978 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 49.3 p 59.81 -175.75 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.985 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 163.85 -30.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.261 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.631 ' H ' HD13 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -91.06 -169.48 2.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -139.66 143.14 37.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 110.298 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -109.4 124.82 51.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.608 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -93.38 127.81 39.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.561 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 33.8 t-80 -131.58 154.9 48.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.586 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -157.13 155.46 31.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.622 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 142' ' ' HIS . . . . . 0.448 ' CG ' ' N ' ' A' ' 143' ' ' HIS . 52.4 t60 -117.83 162.2 18.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.606 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 143' ' ' HIS . . . . . 0.448 ' N ' ' CG ' ' A' ' 142' ' ' HIS . 7.2 t-80 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 109.58 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.892 0 N-CA-C 111.043 -0.406 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.588 ' HG2' HD13 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -140.22 170.27 16.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.467 ' O ' ' HA ' ' A' ' 129' ' ' PRO . 0.3 OUTLIER -118.03 149.32 41.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.337 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.47 HD11 HD13 ' A' ' 51' ' ' ILE . 24.9 mt -91.66 104.29 16.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.518 ' HB2' HD23 ' A' ' 130' ' ' LEU . 62.1 t80 -86.75 148.13 25.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 111.042 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.468 ' O ' ' C ' ' A' ' 12' ' ' SER . 44.2 t -128.3 78.31 1.83 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 108.301 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.468 ' C ' ' O ' ' A' ' 11' ' ' CYS . 2.5 p -34.44 -37.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.018 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 11' ' ' CYS . 13.2 t30 -40.2 -52.0 2.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.356 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -121.89 -37.02 0.68 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.474 1.109 . . . . 0.0 110.971 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.453 ' C ' ' ND1' ' A' ' 16' ' ' HIS . . . 93.67 77.77 1.38 Allowed Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.453 ' ND1' ' C ' ' A' ' 15' ' ' GLY . 47.9 m80 -154.15 160.86 42.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 0.789 . . . . 0.0 109.63 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.463 ' CE2' HD13 ' A' ' 8' ' ' LEU . 20.3 m-85 -101.81 139.79 36.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 111.015 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.791 ' CD1' HD21 ' A' ' 106' ' ' LEU . 8.6 tp -79.49 120.5 23.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.35 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.881 ' HB3' HG22 ' A' ' 37' ' ' ILE . 5.2 ptm180 -118.28 154.64 31.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 110.293 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.592 ' O ' ' CE1' ' A' ' 36' ' ' HIS . 4.5 mt -124.73 127.32 72.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.498 HD12 ' HB ' ' A' ' 25' ' ' THR . 18.6 mt -94.84 157.41 36.83 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.253 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.408 ' HB3' ' CG2' ' A' ' 56' ' ' THR . 18.4 Cg_endo -74.99 0.28 9.1 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.509 1.794 . . . . 0.0 111.013 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -98.49 5.19 48.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.5 45.61 10.88 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.481 1.113 . . . . 0.0 111.021 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.498 ' HB ' HD12 ' A' ' 21' ' ' LEU . 2.3 m -125.7 147.66 49.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 0.787 . . . . 0.0 110.376 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.2 t -133.94 120.88 37.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.339 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -146.8 162.27 38.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -90.77 159.44 26.84 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.426 ' N ' ' HB3' ' A' ' 16' ' ' HIS . 2.5 t -170.92 137.16 1.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 0.782 . . . . 0.0 110.424 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.0 42.04 1.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.35 94.66 4.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.453 ' HA ' HD11 ' A' ' 37' ' ' ILE . 0.8 OUTLIER -49.81 -31.96 12.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.122 . . . . 0.0 110.242 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.0 t -52.02 -39.6 59.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.029 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.53 ' CG ' HG23 ' A' ' 37' ' ' ILE . 50.7 t0 -43.5 119.92 1.78 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -93.82 73.78 4.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 110.281 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.619 ' NE2' HG23 ' A' ' 56' ' ' THR . 1.1 t-80 -178.79 -40.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.57 1.169 . . . . 0.0 109.568 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.881 HG22 ' HB3' ' A' ' 19' ' ' ARG . 28.3 pt -46.23 -25.86 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.418 ' HG2' HG11 ' A' ' 132' ' ' VAL . 51.9 mt-30 -64.36 100.5 0.36 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 55.0 mt -111.77 147.41 35.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.472 ' HB2' ' CG2' ' A' ' 54' ' ' THR . 0.5 OUTLIER -105.33 114.61 28.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 110.304 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.588 HD13 ' HG2' ' A' ' 7' ' ' LYS . 4.3 mp -92.77 135.64 33.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.249 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.418 ' O ' ' HA ' ' A' ' 49' ' ' VAL . 6.1 m -138.21 155.64 48.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.566 1.166 . . . . 0.0 109.993 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -109.4 125.54 52.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.451 ' HG2' ' OG ' ' A' ' 45' ' ' SER . 0.4 OUTLIER -107.24 -44.68 4.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.312 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.451 ' OG ' ' HG2' ' A' ' 44' ' ' GLU . 0.7 OUTLIER -128.34 167.23 17.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.976 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.7 p -60.02 122.29 9.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.81 21.37 76.57 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.779 ' HB3' HD11 ' A' ' 79' ' ' LEU . 7.8 mt-10 -125.06 137.08 54.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 0.766 . . . . 0.0 110.289 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.499 ' O ' HD12 ' A' ' 79' ' ' LEU . 32.6 m -135.21 151.26 30.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.257 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.516 ' CZ ' ' HB2' ' A' ' 79' ' ' LEU . 0.6 OUTLIER -116.51 132.47 56.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.47 HD13 HD11 ' A' ' 9' ' ' LEU . 11.1 mt -117.71 116.86 53.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.548 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -141.38 152.96 44.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.422 ' OG ' ' CE1' ' A' ' 36' ' ' HIS . 0.1 OUTLIER -84.34 136.89 33.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 110.012 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.472 ' CG2' ' HB2' ' A' ' 40' ' ' GLN . 20.9 p -100.91 11.24 39.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.423 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -103.28 -54.83 2.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.306 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.619 HG23 ' NE2' ' A' ' 36' ' ' HIS . 12.7 p -92.57 -51.45 5.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.384 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 117.48 35.57 1.07 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.451 1.094 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -112.13 156.15 22.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 0.755 . . . . 0.0 110.315 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.548 ' CD1' ' HG2' ' A' ' 52' ' ' LYS . 2.6 m-30 -107.02 139.87 40.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 111.031 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.48 HD11 HD21 ' A' ' 18' ' ' LEU . 5.0 tp -77.48 113.21 15.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.085 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.498 ' HB2' ' SG ' ' A' ' 78' ' ' CYS . . . -136.34 152.1 50.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 42.7 ttm -107.92 115.98 31.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 111.059 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.94 -163.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 69.2 p -84.36 -18.15 37.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.442 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -75.66 -9.23 58.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.436 ' HA3' ' CD ' ' A' ' 116' ' ' PRO . . . 87.93 -14.38 58.88 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.423 ' CD1' ' HG3' ' A' ' 114' ' ' ARG . 2.4 mp -77.76 158.69 29.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 0.779 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.646 HD11 HG13 ' A' ' 104' ' ' VAL . 5.7 mt -95.91 144.68 26.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.565 ' CD1' ' C ' ' A' ' 69' ' ' TYR . 1.9 p90 -154.38 160.91 41.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -87.37 121.75 5.95 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.5 t -86.74 139.47 30.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 0.74 . . . . 0.0 110.057 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -69.83 -33.88 72.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.312 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.6 p -123.96 159.49 56.16 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.433 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 112.02 3.46 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.48 1.779 . . . . 0.0 110.984 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -126.79 152.92 46.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -47.64 -25.82 1.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -63.13 -30.15 71.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.309 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.498 ' SG ' ' HB2' ' A' ' 61' ' ' ALA . 58.2 m -76.32 -23.04 54.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 108.315 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.779 HD11 ' HB3' ' A' ' 48' ' ' GLU . 23.1 tp -87.78 131.42 34.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 0.0 109.257 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.484 ' C ' HD13 ' A' ' 81' ' ' LEU . 10.0 m-85 -126.37 164.64 20.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 111.02 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.883 HD22 ' O ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -104.04 126.39 51.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.253 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.09 140.87 42.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.331 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.58 166.59 24.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 0.0 110.324 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.403 HD22 ' HA ' ' A' ' 84' ' ' LEU . 1.5 tm? -98.49 108.89 21.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -99.75 161.0 13.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 110.3 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 87' ' ' ASN . 2.9 mt-10 -62.75 169.44 3.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.278 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 86' ' ' GLU . 2.1 t30 81.5 -2.94 1.65 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 72.96 54.86 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.576 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.585 ' HB2' HD22 ' A' ' 126' ' ' LEU . 3.9 m-85 -143.56 151.6 40.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 111.028 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -105.31 153.89 21.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.415 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 4.0 p -125.37 169.05 12.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.436 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.415 ' CD1' ' O ' ' A' ' 91' ' ' THR . 37.3 m-85 -146.35 133.11 20.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 111.027 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.883 ' O ' HD22 ' A' ' 81' ' ' LEU . 57.1 mt -131.29 138.77 52.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.0 t -68.5 138.33 55.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.999 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.473 ' HG3' HD11 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -64.86 -74.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.496 ' HB3' ' CD2' ' A' ' 97' ' ' HIS . 0.8 OUTLIER -42.8 -28.48 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.541 ' CD2' ' N ' ' A' ' 97' ' ' HIS . 0.3 OUTLIER -124.37 58.84 1.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 109.605 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.426 ' HA ' ' CG2' ' A' ' 93' ' ' ILE . . . -92.26 -45.01 8.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -66.7 -14.91 63.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.28 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.583 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 11.5 mttt -79.21 -5.55 54.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 49.52 63.94 1.96 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.583 ' CD1' ' O ' ' A' ' 100' ' ' LYS . 49.9 m0 -113.06 132.06 55.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 108.013 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.565 ' CE2' HD11 ' A' ' 93' ' ' ILE . 81.7 m-85 -118.16 148.74 42.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.646 HG13 HD11 ' A' ' 68' ' ' LEU . 43.1 t -88.31 94.69 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.269 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.425 ' HA2' ' CE1' ' A' ' 127' ' ' PHE . . . -132.29 169.39 22.24 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.453 1.096 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.984 HD23 ' HA ' ' A' ' 112' ' ' CYS . 1.2 mt -132.73 159.82 38.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 0.772 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 10.0 mttm -84.73 -171.9 3.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.259 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.69 -16.85 43.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.122 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -88.09 6.19 37.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.458 1.099 . . . . 0.0 109.245 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 73.72 38.22 50.62 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.506 1.129 . . . . 0.0 110.967 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.411 ' O ' ' HA ' ' A' ' 106' ' ' LEU . 6.9 m -116.14 147.43 41.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 0.77 . . . . 0.0 110.0 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . 0.984 ' HA ' HD23 ' A' ' 106' ' ' LEU . 25.6 p -66.76 135.16 53.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 108.302 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.496 ' HD3' HG22 ' A' ' 118' ' ' THR . 12.5 tttp -90.3 115.52 27.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.437 ' CB ' ' HG3' ' A' ' 117' ' ' ARG . 2.7 mpp_? -36.97 141.24 0.13 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 0.0 110.266 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.464 ' C ' ' H ' ' A' ' 117' ' ' ARG . . . -57.97 -57.54 19.3 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.495 1.122 . . . . 0.0 110.961 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.436 ' CD ' ' HA3' ' A' ' 66' ' ' GLY . 18.3 Cg_endo -74.97 39.99 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.534 1.807 . . . . 0.0 111.042 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.464 ' H ' ' C ' ' A' ' 115' ' ' GLY . 2.5 mmt-85 -144.02 18.0 1.77 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 110.33 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.496 HG22 ' HD3' ' A' ' 113' ' ' LYS . 1.8 p -114.65 157.7 22.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.406 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.488 ' N ' ' NE2' ' A' ' 122' ' ' GLN . 0.1 OUTLIER -163.48 175.43 10.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.595 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -79.73 136.61 36.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 108.03 -8.45 36.15 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.501 1.126 . . . . 0.0 110.999 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.488 ' NE2' ' N ' ' A' ' 119' ' ' HIS . 60.3 mt-30 -90.43 150.92 21.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 0.75 . . . . 0.0 110.349 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.436 ' HD3' HD12 ' A' ' 126' ' ' LEU . 1.2 tppm? -92.59 11.28 27.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -91.09 -42.13 10.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 2.4 pt -67.0 -40.89 86.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.585 HD22 ' HB2' ' A' ' 89' ' ' TYR . 43.7 mt -61.01 109.86 1.19 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.518 ' CZ ' ' O ' ' A' ' 104' ' ' VAL . 1.3 m-30 -120.27 144.5 47.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 0.0 111.049 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.755 ' O ' HD22 ' A' ' 130' ' ' LEU . 8.8 tp -125.53 111.85 25.6 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . 0.467 ' HA ' ' O ' ' A' ' 8' ' ' LEU . 18.2 Cg_endo -75.0 106.97 2.38 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.511 1.796 . . . . 0.0 110.983 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.755 HD22 ' O ' ' A' ' 128' ' ' LEU . 2.3 mm? -89.1 145.51 34.5 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 130' ' ' LEU . 18.2 Cg_endo -75.06 134.9 18.27 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.484 1.781 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.418 HG11 ' HG2' ' A' ' 38' ' ' GLN . 1.4 p . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.481 ' O ' HG12 ' A' ' 132' ' ' VAL . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.896 0 N-CA-C 111.01 -0.419 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.521 ' C ' HD13 ' A' ' 8' ' ' LEU . 1.2 mppt? -145.18 164.23 31.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.573 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 0.4 OUTLIER -103.44 140.65 37.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 109.263 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.568 HD22 ' N ' ' A' ' 9' ' ' LEU . 2.1 mm? -92.5 104.29 16.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.255 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.506 ' HB2' HD23 ' A' ' 130' ' ' LEU . 34.0 t80 -78.82 148.79 32.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.981 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 13' ' ' ASN . 42.2 t -134.32 76.25 1.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 108.306 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -36.97 -32.93 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.015 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.537 ' ND2' ' HB2' ' A' ' 124' ' ' ALA . 7.5 t30 -44.34 -50.18 9.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -123.61 -36.84 0.62 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 11' ' ' CYS . . . 94.38 72.98 1.19 Allowed Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.457 ' CD2' ' HB2' ' A' ' 30' ' ' ARG . 47.9 m80 -154.4 164.75 38.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.458 0.74 . . . . 0.0 109.612 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.573 ' CD1' ' HB3' ' A' ' 8' ' ' LEU . 20.4 m-85 -107.73 143.21 36.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.919 ' CD1' HD21 ' A' ' 106' ' ' LEU . 14.3 tp -77.16 122.5 25.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.795 ' HB3' HG22 ' A' ' 37' ' ' ILE . 2.1 ptm180 -123.81 154.12 40.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.279 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.532 HD11 ' HB2' ' A' ' 60' ' ' LEU . 60.0 mt -124.48 114.79 42.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.843 HD12 ' HB ' ' A' ' 25' ' ' THR . 23.4 mt -75.3 156.84 85.38 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -2.79 13.0 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.496 1.787 . . . . 0.0 111.012 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -94.03 -15.08 25.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.74 40.32 2.74 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.843 ' HB ' HD12 ' A' ' 21' ' ' LEU . 5.9 m -120.6 147.78 44.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 0.75 . . . . 0.0 110.399 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.3 t -131.55 116.76 32.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -148.23 161.98 40.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.13 157.92 35.72 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.582 ' CG2' HG21 ' A' ' 37' ' ' ILE . 4.8 t -157.68 132.33 8.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 0.735 . . . . 0.0 110.382 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.457 ' HB2' ' CD2' ' A' ' 16' ' ' HIS . 18.2 ttt180 -105.65 48.54 0.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -140.05 98.42 3.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.16 -38.06 49.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 110.254 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.29 -35.92 0.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.995 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.725 ' OD2' HG23 ' A' ' 37' ' ' ILE . 66.3 t0 -57.37 135.65 56.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.574 1.171 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -106.63 -5.22 18.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.331 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 27.8 m80 -89.29 -0.2 57.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.092 . . . . 0.0 109.584 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.795 HG22 ' HB3' ' A' ' 19' ' ' ARG . 14.7 pt -92.74 -22.39 5.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -60.91 89.78 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 110.312 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.555 HD23 ' HA ' ' A' ' 53' ' ' SER . 80.6 mt -98.82 146.14 26.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.357 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.744 ' HG2' HG22 ' A' ' 54' ' ' THR . 0.3 OUTLIER -105.55 114.79 29.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.315 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.2 mp -93.48 136.39 33.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.409 ' O ' ' HA ' ' A' ' 49' ' ' VAL . 1.7 m -137.8 160.12 40.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.999 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -119.92 124.56 46.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.415 ' HG2' ' OG ' ' A' ' 45' ' ' SER . 0.3 OUTLIER -100.64 -47.61 4.79 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 110.308 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.415 ' OG ' ' HG2' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -128.27 166.84 17.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.986 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.433 HG12 ' H ' ' A' ' 46' ' ' VAL . 2.0 p -67.4 104.83 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.91 4.73 48.16 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.488 1.117 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.803 ' OE1' HD21 ' A' ' 79' ' ' LEU . 22.4 mt-10 -119.47 143.29 47.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 0.743 . . . . 0.0 110.267 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.415 ' O ' HD12 ' A' ' 79' ' ' LEU . 12.7 m -139.56 150.77 22.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -118.99 132.32 56.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 11.2 mt -115.62 118.23 58.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.473 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -135.33 153.17 51.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.346 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.555 ' HA ' HD23 ' A' ' 39' ' ' LEU . 33.5 m -84.27 133.02 34.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.744 HG22 ' HG2' ' A' ' 40' ' ' GLN . 69.8 p -84.94 -27.53 26.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.406 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -76.65 -79.25 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.329 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 76.4 p -63.14 -53.32 55.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.393 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 120.41 -19.43 9.21 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.16 162.51 0.68 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 0.784 . . . . 0.0 110.266 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.473 ' CD1' ' HG2' ' A' ' 52' ' ' LYS . 10.1 m-30 -113.84 141.19 47.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.719 HD11 HD21 ' A' ' 18' ' ' LEU . 6.6 tp -76.91 113.02 14.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -140.09 148.21 41.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 42.5 ttm -106.81 117.16 33.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.955 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -69.93 -159.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 10.1 p -86.24 -28.24 23.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.412 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.578 ' CB ' HD12 ' A' ' 67' ' ' LEU . 48.1 m-20 -62.53 -12.56 23.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.42 ' HA3' ' CD ' ' A' ' 116' ' ' PRO . . . 86.38 8.07 78.43 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.48 1.113 . . . . 0.0 110.975 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.578 HD12 ' CB ' ' A' ' 65' ' ' ASP . 4.3 mp -96.94 171.49 8.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 0.74 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.76 HD11 HG13 ' A' ' 104' ' ' VAL . 36.4 mt -110.18 137.83 47.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.243 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.53 ' CD1' ' C ' ' A' ' 69' ' ' TYR . 4.0 p90 -147.57 166.32 27.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 111.003 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -92.29 122.11 6.72 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.447 1.092 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.0 t -88.02 139.83 30.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 0.744 . . . . 0.0 110.039 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -71.57 -33.72 69.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.339 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.6 p -125.23 160.53 54.53 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 110.373 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 112.57 3.59 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.452 1.764 . . . . 0.0 110.95 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.405 ' O ' ' N ' ' A' ' 78' ' ' CYS . 5.0 m-20 -126.33 154.66 43.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -45.99 -26.66 0.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -61.61 -33.67 74.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.405 ' N ' ' O ' ' A' ' 75' ' ' ASN . 57.0 m -72.88 -16.67 61.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 108.291 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.803 HD21 ' OE1' ' A' ' 48' ' ' GLU . 8.8 tp -88.24 130.06 35.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.373 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.411 ' HA ' ' O ' ' A' ' 93' ' ' ILE . 19.1 m-85 -129.55 164.92 22.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.63 HD21 ' HA ' ' A' ' 95' ' ' LYS . 0.4 OUTLIER -103.67 127.15 51.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -109.25 145.76 35.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.269 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -150.9 166.33 30.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.307 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.402 HD13 ' C ' ' A' ' 84' ' ' LEU . 1.8 tm? -94.75 116.21 28.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.503 ' OE1' ' CD2' ' A' ' 126' ' ' LEU . 3.7 mt-10 -104.99 161.54 14.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 110.271 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -59.96 -179.83 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 38.2 m-20 60.05 16.84 6.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 56.13 66.16 1.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.612 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.457 ' CG ' ' HB3' ' A' ' 126' ' ' LEU . 13.4 m-85 -143.42 168.23 20.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.952 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -119.73 155.97 31.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.481 ' CG2' ' HG3' ' A' ' 85' ' ' GLU . 1.0 OUTLIER -125.9 162.21 25.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.403 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -145.72 132.72 20.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.164 . . . . 0.0 111.002 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 1.017 HD11 ' CE2' ' A' ' 103' ' ' PHE . 24.8 mt -136.28 138.25 47.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.6 t -58.4 138.28 56.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.983 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.63 ' HA ' HD21 ' A' ' 81' ' ' LEU . 2.2 tttt -78.05 -50.86 11.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.06 -25.31 0.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.547 ' CE1' ' CZ3' ' A' ' 102' ' ' TRP . 30.5 m-70 -105.38 -90.88 0.4 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.596 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 97' ' ' HIS . . . 69.06 -63.24 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 97' ' ' HIS . 6.9 mt-10 -58.42 -17.02 17.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.138 . . . . 0.0 110.315 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.588 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 14.6 mttt -88.97 -7.77 55.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 45.8 64.4 1.47 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.588 ' CD1' ' O ' ' A' ' 100' ' ' LYS . 52.0 m0 -112.14 131.05 55.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 107.973 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 1.017 ' CE2' HD11 ' A' ' 93' ' ' ILE . 84.6 m-85 -112.65 146.89 37.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.76 HG13 HD11 ' A' ' 68' ' ' LEU . 73.6 t -61.29 -90.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.561 ' HA2' ' CE1' ' A' ' 127' ' ' PHE . . . 54.57 168.17 0.04 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.447 1.092 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.984 HD23 ' HA ' ' A' ' 112' ' ' CYS . 13.0 mt -137.6 129.36 28.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 0.765 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 111' ' ' SER . 2.6 mtmp? -52.11 -176.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -88.09 -8.1 55.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -89.34 8.97 27.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 74.51 20.1 79.67 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 107' ' ' LYS . 63.0 m -114.07 166.91 11.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.443 0.731 . . . . 0.0 110.006 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . 0.984 ' HA ' HD23 ' A' ' 106' ' ' LEU . 13.6 p -74.17 136.43 42.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 108.342 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 114' ' ' ARG . 0.6 OUTLIER -89.27 123.97 33.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.123 . . . . 0.0 109.306 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.442 ' CB ' ' HG3' ' A' ' 117' ' ' ARG . 0.9 OUTLIER -37.37 146.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.312 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.472 ' C ' ' H ' ' A' ' 117' ' ' ARG . . . -66.56 -55.91 15.65 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.488 1.118 . . . . 0.0 110.976 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.42 ' CD ' ' HA3' ' A' ' 66' ' ' GLY . 18.3 Cg_endo -75.03 39.02 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.508 1.794 . . . . 0.0 110.991 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.472 ' H ' ' C ' ' A' ' 115' ' ' GLY . 7.2 mmt180 -142.93 17.64 1.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.28 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.509 HG21 ' HB2' ' A' ' 103' ' ' PHE . 1.3 p -114.73 164.44 14.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.419 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -171.67 166.62 6.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.589 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -73.58 127.54 33.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 122.93 -19.78 7.76 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.439 1.087 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -79.83 148.61 31.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 0.754 . . . . 0.0 110.263 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 4.7 ttmm -90.38 18.65 5.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.537 ' HB2' ' ND2' ' A' ' 13' ' ' ASN . . . -94.96 -51.06 4.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.4 pt -55.09 -28.42 20.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.503 ' CD2' ' OE1' ' A' ' 85' ' ' GLU . 21.4 mt -64.98 105.38 1.02 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 109.347 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.561 ' CE1' ' HA2' ' A' ' 105' ' ' GLY . 0.6 OUTLIER -121.09 135.77 55.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.583 1.177 . . . . 0.0 110.983 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.684 HD23 ' HD2' ' A' ' 129' ' ' PRO . 0.7 OUTLIER -119.84 113.78 34.34 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . 0.684 ' HD2' HD23 ' A' ' 128' ' ' LEU . 18.3 Cg_endo -75.06 112.51 3.58 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.537 1.809 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.541 HD22 ' O ' ' A' ' 128' ' ' LEU . 3.8 mm? -92.72 140.79 23.85 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 130' ' ' LEU . 18.1 Cg_endo -75.01 140.11 25.03 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.498 1.789 . . . . 0.0 110.942 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.481 HG12 ' O ' ' A' ' 6' ' ' PRO . 5.2 p . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.564 1.165 . . . . 0.0 109.287 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.904 0 N-CA-C 111.016 -0.417 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.48 ' HG2' HD22 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -142.49 172.35 12.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.554 HD22 HD12 ' A' ' 37' ' ' ILE . 0.3 OUTLIER -115.09 146.12 41.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -91.76 104.97 17.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.411 ' HB3' ' CB ' ' A' ' 128' ' ' LEU . 44.8 t80 -84.79 113.75 21.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 111.046 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.456 ' O ' ' N ' ' A' ' 15' ' ' GLY . 41.3 t -88.65 76.12 8.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 108.3 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 11' ' ' CYS . 15.3 p -35.6 -35.03 0.05 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.557 1.16 . . . . 0.0 109.977 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 11' ' ' CYS . 13.3 t-20 -42.48 -52.82 4.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -120.69 -36.18 0.8 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.47 1.106 . . . . 0.0 111.046 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 11' ' ' CYS . . . 97.33 74.03 1.17 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.422 ' ND1' ' C ' ' A' ' 15' ' ' GLY . 42.7 m80 -151.11 161.7 42.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 0.763 . . . . 0.0 109.6 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.417 ' HE1' HD12 ' A' ' 130' ' ' LEU . 24.5 m-85 -105.51 142.69 34.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.785 ' CD1' HD21 ' A' ' 106' ' ' LEU . 8.6 tp -77.99 126.07 30.28 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.883 ' HB3' HG22 ' A' ' 37' ' ' ILE . 3.1 ptm180 -126.59 153.1 45.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.541 HD11 ' HB2' ' A' ' 60' ' ' LEU . 74.2 mt -124.75 118.7 54.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.793 HD12 ' HB ' ' A' ' 25' ' ' THR . 22.8 mt -80.79 157.01 72.35 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.576 1.172 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 -4.18 15.01 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.496 1.787 . . . . 0.0 110.97 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -91.17 -18.2 24.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 104.26 40.89 2.16 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.536 1.147 . . . . 0.0 111.037 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.793 ' HB ' HD12 ' A' ' 21' ' ' LEU . 5.2 m -119.93 147.24 44.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 0.749 . . . . 0.0 110.434 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.7 t -132.2 118.01 34.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.335 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -148.09 162.64 38.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.348 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -90.48 148.1 19.42 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 110.973 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 t -154.25 137.14 15.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 110.398 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.5 ttt-85 -109.44 53.94 0.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.268 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -136.66 86.39 2.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.153 . . . . 0.0 109.26 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.16 -32.85 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.8 t -41.52 -51.45 3.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 109.992 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.01 149.45 1.89 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -115.26 -13.01 11.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.281 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.565 ' CE1' ' HG2' ' A' ' 55' ' ' GLU . 34.3 m80 -76.77 -13.65 60.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.613 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.883 HG22 ' HB3' ' A' ' 19' ' ' ARG . 39.4 pt -76.64 -29.84 18.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -55.98 89.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.631 HD23 ' HA ' ' A' ' 53' ' ' SER . 32.0 mt -97.29 144.5 27.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.47 ' HB2' ' CG2' ' A' ' 54' ' ' THR . 0.0 OUTLIER -105.79 114.27 28.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.127 . . . . 0.0 110.313 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.857 HD11 HG23 ' A' ' 51' ' ' ILE . 0.3 OUTLIER -93.28 135.26 34.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.289 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.421 ' O ' ' HA ' ' A' ' 49' ' ' VAL . 0.3 OUTLIER -135.31 160.96 36.75 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 0.0 109.994 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -123.19 129.3 51.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.535 ' HG3' ' CD2' ' A' ' 50' ' ' TYR . 1.6 mt-10 -113.39 -52.01 2.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 110.3 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.76 163.24 21.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 109.989 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.6 p -61.89 115.65 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.36 18.65 61.99 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.554 1.158 . . . . 0.0 111.032 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.581 ' HB3' HD11 ' A' ' 79' ' ' LEU . 14.1 mt-10 -128.68 130.73 47.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 0.772 . . . . 0.0 110.301 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.421 ' HA ' ' O ' ' A' ' 42' ' ' SER . 25.0 m -136.05 150.06 27.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.535 ' CD2' ' HG3' ' A' ' 44' ' ' GLU . 1.0 OUTLIER -118.77 134.05 55.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 111.04 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.857 HG23 HD11 ' A' ' 41' ' ' LEU . 3.6 mt -114.5 107.38 22.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.429 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 6.7 mttt -119.13 152.2 36.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.631 ' HA ' HD23 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -88.12 130.06 35.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.027 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.47 ' CG2' ' HB2' ' A' ' 40' ' ' GLN . 82.8 p -90.99 11.81 21.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.408 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.565 ' HG2' ' CE1' ' A' ' 36' ' ' HIS . 43.7 tp10 -104.7 -61.17 1.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.343 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.439 ' OG1' ' N ' ' A' ' 57' ' ' GLY . 32.0 p -91.74 -64.36 1.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 110.392 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.439 ' N ' ' OG1' ' A' ' 56' ' ' THR . . . 125.74 42.23 0.32 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.447 1.092 . . . . 0.0 111.015 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -116.46 136.29 53.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 0.782 . . . . 0.0 110.242 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.429 ' CD1' ' HG2' ' A' ' 52' ' ' LYS . 58.1 m-85 -77.0 136.36 38.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.551 ' CD2' HD12 ' A' ' 51' ' ' ILE . 2.8 tp -77.76 112.87 15.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.259 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.475 ' HB2' ' SG ' ' A' ' 78' ' ' CYS . . . -137.92 154.25 49.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.488 ' HE2' ' HB2' ' A' ' 62' ' ' MET . 6.2 tpp -103.47 145.89 29.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.979 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.426 ' N ' ' HG3' ' A' ' 62' ' ' MET . 0.5 OUTLIER -97.42 163.1 13.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.413 ' H ' HG23 ' A' ' 64' ' ' THR . 61.8 p -50.64 -33.11 21.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.369 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.418 ' HB3' ' CD2' ' A' ' 67' ' ' LEU . 6.7 m-20 -60.89 -19.0 59.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.422 ' HA3' ' CD ' ' A' ' 116' ' ' PRO . . . 93.37 13.87 54.9 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.477 1.111 . . . . 0.0 110.964 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.418 ' CD2' ' HB3' ' A' ' 65' ' ' ASP . 0.6 OUTLIER -105.0 161.54 14.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 0.773 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.909 HD11 HG13 ' A' ' 104' ' ' VAL . 7.6 mt -97.44 142.44 29.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.512 ' CD1' ' C ' ' A' ' 69' ' ' TYR . 4.0 p90 -147.81 155.4 41.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 111.031 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -76.81 111.5 3.29 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.87 127.17 34.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 0.782 . . . . 0.0 109.986 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -61.01 -54.49 44.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.2 p -104.56 156.46 35.85 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 110.414 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 116.48 4.59 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.471 1.774 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -125.63 156.37 39.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -48.31 -25.71 1.69 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.48 1.113 . . . . 0.0 110.301 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -64.76 -27.6 69.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.455 1.097 . . . . 0.0 110.321 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.475 ' SG ' ' HB2' ' A' ' 61' ' ' ALA . 48.0 m -77.46 -16.98 58.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 108.291 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.581 HD11 ' HB3' ' A' ' 48' ' ' GLU . 3.2 tp -87.93 117.2 26.62 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -116.45 165.17 13.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.963 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.67 HD21 ' HD3' ' A' ' 95' ' ' LYS . 4.5 mt -103.46 129.99 50.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.42 ' OE2' ' N ' ' A' ' 83' ' ' ARG . 2.7 tm-20 -108.62 150.12 27.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.42 ' N ' ' OE2' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -157.86 152.76 25.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.092 . . . . 0.0 110.342 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.492 HD22 ' N ' ' A' ' 85' ' ' GLU . 2.5 tm? -95.76 128.88 43.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.492 ' N ' HD22 ' A' ' 84' ' ' LEU . 12.6 mm-40 -98.33 159.11 15.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.316 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -72.42 88.16 1.19 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 173.68 -89.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 177.05 38.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.588 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.892 ' CE1' HD12 ' A' ' 128' ' ' LEU . 74.2 m-85 -139.52 171.96 13.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 111.017 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -125.97 156.69 39.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.463 ' CG2' HG13 ' A' ' 125' ' ' ILE . 1.2 p -126.92 144.26 51.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.374 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -126.6 132.56 51.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 1.046 HD11 ' CE2' ' A' ' 103' ' ' PHE . 43.5 mt -135.52 145.2 32.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 98' ' ' ALA . 1.6 t -71.59 138.81 49.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 110.01 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.67 ' HD3' HD21 ' A' ' 81' ' ' LEU . 18.4 tptm -73.98 -50.16 21.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.577 ' HB3' ' CD2' ' A' ' 97' ' ' HIS . 2.8 tttt -58.76 -17.13 20.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.247 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.577 ' CD2' ' HB3' ' A' ' 96' ' ' LYS . 0.1 OUTLIER -129.66 23.44 5.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.608 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.528 ' HB2' ' HA ' ' A' ' 95' ' ' LYS . . . -54.66 -52.67 61.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.31 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -60.89 -24.73 66.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 110.319 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.475 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 2.3 mtpt -73.5 -12.48 60.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 49.87 65.03 1.54 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.475 ' CD1' ' O ' ' A' ' 100' ' ' LYS . 48.0 m0 -111.61 131.16 55.46 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 1.046 ' CE2' HD11 ' A' ' 93' ' ' ILE . 89.3 m-85 -113.14 149.2 33.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.996 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.909 HG13 HD11 ' A' ' 68' ' ' LEU . 74.4 t -70.64 -89.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 104' ' ' VAL . . . 51.1 173.59 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.905 HD23 ' HA ' ' A' ' 112' ' ' CYS . 19.4 mt -138.16 131.45 30.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 0.748 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 111' ' ' SER . 5.7 mtpt -55.61 -167.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -90.18 -13.06 36.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -86.78 7.16 28.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 72.62 29.05 66.22 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.481 1.113 . . . . 0.0 111.054 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.466 ' O ' ' N ' ' A' ' 107' ' ' LYS . 0.4 OUTLIER -121.69 160.86 23.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 0.762 . . . . 0.0 109.981 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . 0.905 ' HA ' HD23 ' A' ' 106' ' ' LEU . 18.8 p -66.87 136.02 54.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 108.32 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.503 ' HD3' HG22 ' A' ' 118' ' ' THR . 4.0 tttp -89.5 125.62 35.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -37.75 139.68 0.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.339 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.495 ' C ' ' H ' ' A' ' 117' ' ' ARG . . . -64.25 -55.85 21.29 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.422 ' CD ' ' HA3' ' A' ' 66' ' ' GLY . 18.2 Cg_endo -75.01 32.75 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.539 1.81 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.495 ' H ' ' C ' ' A' ' 115' ' ' GLY . 6.2 mmt180 -141.84 21.94 2.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.333 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.503 HG22 ' HD3' ' A' ' 113' ' ' LYS . 1.5 p -119.82 159.27 24.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.449 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -164.62 166.8 19.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 109.596 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -71.46 132.59 44.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.972 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 120.99 -23.4 7.76 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.521 1.138 . . . . 0.0 110.967 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -76.12 149.09 37.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 0.755 . . . . 0.0 110.28 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.3 ttmm -91.86 26.46 2.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.25 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -102.02 -59.03 1.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.463 HG13 ' CG2' ' A' ' 91' ' ' THR . 4.6 pt -46.4 -37.52 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 29.9 mt -62.01 114.06 3.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -119.99 140.38 51.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.892 HD12 ' CE1' ' A' ' 89' ' ' TYR . 0.4 OUTLIER -113.37 108.01 52.88 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . 0.449 ' HA ' ' O ' ' A' ' 8' ' ' LEU . 18.6 Cg_endo -74.99 107.07 2.4 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.462 1.77 . . . . 0.0 111.037 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.417 HD12 ' HE1' ' A' ' 17' ' ' PHE . 64.4 mt -98.79 146.58 31.88 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.523 1.14 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 146.14 32.33 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.525 1.803 . . . . 0.0 110.963 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.475 ' CG2' HD11 ' A' ' 8' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.846 0 N-CA-C 110.951 -0.442 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.34 167.8 21.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.157 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.527 HD11 ' HB ' ' A' ' 132' ' ' VAL . 2.0 mt -122.74 141.0 52.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -92.68 104.48 16.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -82.21 139.07 34.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.457 ' O ' ' N ' ' A' ' 15' ' ' GLY . 51.4 t -119.12 77.62 1.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 108.305 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 13' ' ' ASN . 41.1 t -37.9 -36.7 0.21 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.978 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 12' ' ' SER . 10.8 t30 -38.37 -65.67 0.33 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.147 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.554 ' O ' ' CE1' ' A' ' 16' ' ' HIS . . . -127.0 25.19 5.29 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.521 1.138 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 11' ' ' CYS . . . 42.46 71.13 0.41 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.059 -0.817 . . . . 0.0 111.059 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.554 ' CE1' ' O ' ' A' ' 14' ' ' GLY . 56.8 m80 -134.76 163.67 29.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 0.778 . . . . 0.0 109.563 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.489 ' HE1' HD12 ' A' ' 130' ' ' LEU . 22.0 m-85 -117.21 140.89 48.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.546 1.154 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.641 ' CD1' HD21 ' A' ' 106' ' ' LEU . 13.1 tp -79.26 112.56 16.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.93 ' HB3' HG22 ' A' ' 37' ' ' ILE . 2.6 ptm180 -116.4 150.28 38.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 110.288 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.829 HD11 ' HB2' ' A' ' 60' ' ' LEU . 59.8 mt -124.12 109.83 23.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.704 HD21 ' NE ' ' A' ' 19' ' ' ARG . 24.3 mt -76.7 157.34 82.17 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 0.18 9.21 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.488 1.783 . . . . 0.0 111.023 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -100.77 10.5 41.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.88 46.83 27.85 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.556 1.16 . . . . 0.0 111.016 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.5 m -126.68 143.86 51.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 0.732 . . . . 0.0 110.428 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.3 t -135.35 119.5 26.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.273 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -148.17 162.58 39.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -84.03 135.05 13.29 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.418 1.074 . . . . 0.0 110.993 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.472 ' CG2' HG21 ' A' ' 37' ' ' ILE . 1.2 t -136.98 136.56 38.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 0.745 . . . . 0.0 110.438 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -110.64 55.82 0.64 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.289 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -146.33 85.15 1.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 33' ' ' SER . 1.4 mpp_? -39.83 -37.99 0.62 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.348 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 32' ' ' ARG . 0.2 OUTLIER -39.15 -41.85 0.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.0 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.417 ' OD2' HG23 ' A' ' 37' ' ' ILE . 1.2 t0 -44.99 120.81 2.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -94.23 28.39 2.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.303 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 45.0 m80 -122.28 -41.95 2.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.647 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.93 HG22 ' HB3' ' A' ' 19' ' ' ARG . 44.3 pt -48.19 -26.89 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -52.99 89.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.333 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.747 HD23 ' HA ' ' A' ' 53' ' ' SER . 61.0 mt -101.72 143.34 31.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.833 ' HG2' HG22 ' A' ' 54' ' ' THR . 1.1 pt20 -105.31 114.8 29.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.36 136.23 33.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.9 m -139.87 160.46 39.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.986 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -122.27 125.02 45.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -110.11 -42.0 4.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.237 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.52 163.62 23.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.044 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 11.9 p -62.59 125.86 19.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.155 . . . . 0.0 109.254 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.404 ' O ' ' HA ' ' A' ' 81' ' ' LEU . . . 73.51 4.56 65.46 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.478 1.111 . . . . 0.0 111.031 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.778 ' HG2' HD23 ' A' ' 81' ' ' LEU . 28.4 mt-10 -115.56 140.49 49.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.78 . . . . 0.0 110.303 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.434 ' O ' HD12 ' A' ' 79' ' ' LEU . 25.5 m -137.01 161.33 35.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.428 1.08 . . . . 0.0 109.345 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.441 ' CE2' HD22 ' A' ' 79' ' ' LEU . 3.6 m-85 -127.67 137.21 52.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 5.7 mt -122.95 123.44 68.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.251 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.564 ' HD3' ' CE1' ' A' ' 59' ' ' TYR . 25.7 ttpt -140.98 150.91 43.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.747 ' HA ' HD23 ' A' ' 39' ' ' LEU . 0.6 OUTLIER -79.19 129.35 34.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 110.04 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.833 HG22 ' HG2' ' A' ' 40' ' ' GLN . 40.1 p -83.6 -1.57 54.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.138 . . . . 0.0 110.42 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -99.15 -58.93 1.82 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.292 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 39.9 p -82.46 -52.12 7.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 110.424 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 105.24 46.06 1.28 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.491 1.119 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -127.8 136.62 51.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 0.799 . . . . 0.0 110.313 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.564 ' CE1' ' HD3' ' A' ' 52' ' ' LYS . 21.3 m-85 -80.61 141.13 35.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.829 ' HB2' HD11 ' A' ' 20' ' ' ILE . 4.2 tp -77.19 115.87 17.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.675 ' HB2' ' SG ' ' A' ' 78' ' ' CYS . . . -132.45 153.56 50.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.458 ' HE2' ' HB2' ' A' ' 62' ' ' MET . 14.4 tpp -106.44 135.98 47.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 110.993 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.517 ' CG ' ' CE2' ' A' ' 69' ' ' TYR . 1.0 OUTLIER -90.51 -171.83 3.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 0.0 109.274 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.9 p -80.59 -28.32 37.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.37 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.424 ' CB ' HD22 ' A' ' 67' ' ' LEU . 5.2 m-20 -67.44 -9.65 43.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.54 -2.24 84.58 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.539 1.15 . . . . 0.0 111.002 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.424 HD22 ' CB ' ' A' ' 65' ' ' ASP . 0.6 OUTLIER -85.94 155.72 20.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 0.0 109.315 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 14.9 mt -96.3 140.43 30.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.555 ' CD1' ' C ' ' A' ' 69' ' ' TYR . 2.8 p90 -148.37 150.84 34.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -88.68 127.64 8.72 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.509 1.131 . . . . 0.0 110.946 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.7 t -93.7 139.61 30.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 0.741 . . . . 0.0 110.017 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -63.63 -37.32 86.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.305 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.3 p -119.83 158.92 48.62 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.355 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 112.28 3.52 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.458 1.767 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -125.64 157.16 37.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.252 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -49.45 -32.71 12.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -61.1 -17.29 51.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.283 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.675 ' SG ' ' HB2' ' A' ' 61' ' ' ALA . 7.3 m -95.26 -18.86 20.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 108.312 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.61 HD11 ' HB3' ' A' ' 48' ' ' GLU . 2.5 tp -83.02 119.55 24.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -117.01 165.35 13.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.778 HD23 ' HG2' ' A' ' 48' ' ' GLU . 5.9 mt -103.37 125.1 49.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -109.21 149.13 29.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.24 147.31 20.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.8 tt -92.3 108.05 19.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 109.343 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.466 ' OE2' HG21 ' A' ' 91' ' ' THR . 0.5 OUTLIER -105.53 165.37 11.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.312 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -52.99 176.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.275 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 73.88 4.55 4.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 54.45 62.42 2.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.611 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.602 ' HD1' HD13 ' A' ' 128' ' ' LEU . 0.8 OUTLIER -144.69 158.77 43.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 111.031 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -111.79 148.08 34.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.549 HG22 ' O ' ' A' ' 125' ' ' ILE . 22.5 p -131.07 159.68 36.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.423 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -141.52 134.06 28.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 111.058 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.677 HD11 ' CE2' ' A' ' 103' ' ' PHE . 51.3 mt -135.49 143.29 37.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.286 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.97 138.37 57.21 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.47 1.107 . . . . 0.0 110.004 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 25.6 tttt -69.4 -58.36 4.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.584 ' HB3' ' CD2' ' A' ' 97' ' ' HIS . 24.1 tttt -57.36 -24.52 55.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.585 ' CD2' ' N ' ' A' ' 97' ' ' HIS . 0.1 OUTLIER -121.93 44.73 2.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.614 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -78.06 -44.4 26.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 109.335 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -68.62 -21.01 64.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.322 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.543 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 3.1 mtpt -74.7 -11.65 60.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 51.3 63.74 2.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.543 ' CD1' ' O ' ' A' ' 100' ' ' LYS . 46.7 m0 -113.3 131.98 55.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 107.99 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.677 ' CE2' HD11 ' A' ' 93' ' ' ILE . 88.4 m-85 -112.78 148.77 34.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.498 ' O ' ' C ' ' A' ' 105' ' ' GLY . 40.6 t -72.63 -25.95 23.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.583 ' HA2' ' CE1' ' A' ' 127' ' ' PHE . . . -29.87 143.73 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.487 1.117 . . . . 0.0 111.02 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.641 HD21 ' CD1' ' A' ' 18' ' ' LEU . 0.9 OUTLIER -106.84 149.95 26.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.778 . . . . 0.0 109.287 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 111' ' ' SER . 1.1 mtpt -55.17 -171.18 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.84 -9.39 18.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.093 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -92.87 25.21 3.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 64.0 39.78 97.59 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.512 1.132 . . . . 0.0 111.053 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.49 ' O ' ' N ' ' A' ' 107' ' ' LYS . 49.3 m -135.52 166.08 24.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 0.758 . . . . 0.0 110.011 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . 0.568 ' HA ' HD23 ' A' ' 106' ' ' LEU . 19.4 p -82.22 135.65 35.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 108.302 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.628 ' HD3' HG22 ' A' ' 118' ' ' THR . 7.5 tttt -90.22 107.53 19.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -36.78 142.49 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 110.278 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.469 ' C ' ' H ' ' A' ' 117' ' ' ARG . . . -50.07 -59.99 7.03 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.471 1.107 . . . . 0.0 111.034 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.405 ' O ' ' HG2' ' A' ' 117' ' ' ARG . 18.2 Cg_endo -75.0 38.05 0.51 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.506 1.792 . . . . 0.0 111.004 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.469 ' H ' ' C ' ' A' ' 115' ' ' GLY . 2.7 mtt-85 -144.39 17.0 1.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.274 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.628 HG22 ' HD3' ' A' ' 113' ' ' LYS . 3.7 p -118.29 166.48 12.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.4 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.585 ' O ' HD13 ' A' ' 125' ' ' ILE . 0.4 OUTLIER -175.36 -176.01 0.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.587 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -86.49 142.59 28.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 111.3 -20.01 23.87 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -85.49 154.68 21.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 0.774 . . . . 0.0 110.303 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.07 16.54 16.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -94.1 -45.17 7.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.342 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.585 HD13 ' O ' ' A' ' 119' ' ' HIS . 1.8 pt -65.79 -25.66 36.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.098 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.573 ' HB3' ' CD2' ' A' ' 89' ' ' TYR . 47.7 mt -73.65 108.03 6.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.583 ' CE1' ' HA2' ' A' ' 105' ' ' GLY . 1.7 m-30 -119.38 141.68 48.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.963 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.602 HD13 ' HD1' ' A' ' 89' ' ' TYR . 5.9 tp -127.81 126.63 23.92 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . 0.446 ' HA ' ' O ' ' A' ' 8' ' ' LEU . 18.3 Cg_endo -75.0 117.22 4.83 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.46 1.768 . . . . 0.0 111.006 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.489 HD12 ' HE1' ' A' ' 17' ' ' PHE . 35.9 mt -100.54 133.59 21.19 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 130' ' ' LEU . 18.1 Cg_endo -74.96 132.26 15.27 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.518 1.799 . . . . 0.0 111.001 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.527 ' HB ' HD11 ' A' ' 8' ' ' LEU . 6.1 p . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.917 0 N-CA-C 110.982 -0.43 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.5 mtmt -142.49 155.02 45.01 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.623 HD22 HD12 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -103.56 139.91 38.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.721 HD11 HD21 ' A' ' 41' ' ' LEU . 1.9 mm? -91.63 115.04 27.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.255 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.516 ' O ' ' CD1' ' A' ' 127' ' ' PHE . 17.8 t80 -84.32 141.52 30.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 15' ' ' GLY . 20.9 t -116.4 70.86 0.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 108.339 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 11' ' ' CYS . 5.2 p -35.85 -35.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.001 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' A' ' 11' ' ' CYS . 14.2 t30 -42.24 -48.65 4.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 11' ' ' CYS . . . -124.93 -38.4 0.5 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 11' ' ' CYS . . . 103.23 58.94 0.73 Allowed Glycine 0 CA--C 1.531 1.031 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.416 ' CD2' ' HG2' ' A' ' 30' ' ' ARG . 14.9 m80 -135.48 167.07 21.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 0.761 . . . . 0.0 109.639 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -110.41 142.05 42.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.803 ' CD1' HD21 ' A' ' 106' ' ' LEU . 10.7 tp -78.51 114.25 17.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.863 ' HB3' HG22 ' A' ' 37' ' ' ILE . 4.6 ptm180 -117.54 154.48 31.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.298 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.695 HD11 ' HB2' ' A' ' 60' ' ' LEU . 6.0 mt -124.5 117.08 49.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.448 HD12 ' HB ' ' A' ' 25' ' ' THR . 23.8 mt -82.21 157.61 67.99 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -1.44 11.22 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.542 1.811 . . . . 0.0 111.019 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.96 6.72 47.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.23 40.86 27.91 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.558 1.161 . . . . 0.0 110.982 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.448 ' HB ' HD12 ' A' ' 21' ' ' LEU . 2.2 m -122.41 146.62 47.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 0.762 . . . . 0.0 110.441 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.3 t -129.72 121.11 51.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -144.75 161.92 38.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.09 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -90.67 138.46 14.41 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.499 1.124 . . . . 0.0 110.984 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.532 ' CG2' HG21 ' A' ' 37' ' ' ILE . 1.7 t -140.5 145.27 36.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 0.785 . . . . 0.0 110.37 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.416 ' HG2' ' CD2' ' A' ' 16' ' ' HIS . 1.3 ptt85 -117.99 36.49 4.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.3 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -121.37 87.39 2.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -40.65 -34.27 0.35 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.331 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.95 -49.68 3.26 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 110.038 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.441 ' OD2' HG23 ' A' ' 37' ' ' ILE . 3.9 t70 -48.07 136.37 11.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -102.13 -19.37 15.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.262 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.557 ' CD2' ' HG2' ' A' ' 55' ' ' GLU . 35.5 m80 -67.1 -33.4 75.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.586 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.863 HG22 ' HB3' ' A' ' 19' ' ' ARG . 37.4 pt -56.55 -33.01 38.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -53.64 94.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.554 1.159 . . . . 0.0 110.291 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.837 HD23 ' HA ' ' A' ' 53' ' ' SER . 35.2 mt -102.45 146.4 28.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.406 ' HB2' ' CG2' ' A' ' 54' ' ' THR . 0.0 OUTLIER -105.88 114.34 28.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.316 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.919 HD11 HG23 ' A' ' 51' ' ' ILE . 0.1 OUTLIER -91.0 136.56 32.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 109.299 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.418 ' O ' ' HA ' ' A' ' 49' ' ' VAL . 5.6 m -134.45 160.02 39.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.965 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -123.54 130.28 52.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.626 ' CD ' ' CE2' ' A' ' 50' ' ' TYR . 44.3 mt-10 -117.69 -49.37 2.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.305 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.68 160.41 30.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 109.972 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 97.9 t -58.01 127.54 17.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.06 32.47 73.04 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.478 1.111 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.79 ' HB3' HD11 ' A' ' 79' ' ' LEU . 11.2 mt-10 -140.53 137.09 33.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 0.782 . . . . 0.0 110.302 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.452 ' O ' HD12 ' A' ' 79' ' ' LEU . 22.1 m -142.34 151.77 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.788 ' CD2' HD13 ' A' ' 79' ' ' LEU . 5.2 m-85 -116.38 132.63 56.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.96 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.919 HG23 HD11 ' A' ' 41' ' ' LEU . 1.6 mt -115.96 107.3 22.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.423 ' HG2' ' N ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -132.05 145.0 51.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.335 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.837 ' HA ' HD23 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -82.81 137.21 34.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.964 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.406 ' CG2' ' HB2' ' A' ' 40' ' ' GLN . 9.6 p -96.2 -4.92 41.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.387 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.557 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 25.3 tp10 -85.24 -65.57 0.99 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 110.336 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 71.5 p -78.13 -64.81 1.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 110.398 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 127.39 46.13 0.2 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.483 1.114 . . . . 0.0 110.97 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -129.05 162.11 28.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 0.793 . . . . 0.0 110.286 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.468 ' CD1' ' N ' ' A' ' 59' ' ' TYR . 1.7 m-30 -111.6 138.89 47.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 111.036 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.695 ' HB2' HD11 ' A' ' 20' ' ' ILE . 2.7 tp -77.32 118.31 19.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -136.53 149.23 48.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 55.6 ttm -104.09 117.62 34.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 111.02 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.62 -162.98 0.29 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 72.4 p -87.14 -18.4 30.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.367 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.473 ' HB3' HD22 ' A' ' 67' ' ' LEU . 5.3 m-20 -66.64 -22.61 66.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 99.76 -7.94 59.53 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.473 HD22 ' HB3' ' A' ' 65' ' ' ASP . 0.2 OUTLIER -91.98 170.06 10.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 0.777 . . . . 0.0 109.276 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.864 HD11 HG13 ' A' ' 104' ' ' VAL . 3.4 mt -103.79 144.69 31.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.541 ' CD1' ' C ' ' A' ' 69' ' ' TYR . 3.4 p90 -148.62 163.87 35.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -91.65 125.63 8.13 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.518 1.136 . . . . 0.0 111.019 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.7 t -92.38 140.01 30.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 0.769 . . . . 0.0 109.987 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -75.56 -32.03 60.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.5 p -120.79 156.82 55.94 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.389 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 108.99 2.84 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.521 1.801 . . . . 0.0 110.995 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 44.2 m-20 -127.04 154.84 44.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -47.3 -28.27 1.91 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 110.318 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -60.14 -25.15 65.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.303 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 33.4 m -82.45 -21.27 35.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 108.295 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.79 HD11 ' HB3' ' A' ' 48' ' ' GLU . 10.1 tp -86.51 127.94 34.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.406 ' O ' ' HA ' ' A' ' 48' ' ' GLU . 10.1 m-85 -124.3 163.75 21.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 111.003 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.673 HD22 ' N ' ' A' ' 81' ' ' LEU . 0.1 OUTLIER -104.01 125.49 50.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.411 ' OE1' ' N ' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -108.57 148.81 29.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.312 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.411 ' N ' ' OE1' ' A' ' 82' ' ' GLU . 0.4 OUTLIER -148.31 166.25 28.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.287 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.458 HD13 ' N ' ' A' ' 85' ' ' GLU . 0.1 OUTLIER -107.52 127.93 54.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.458 ' N ' HD13 ' A' ' 84' ' ' LEU . 2.8 mm-40 -103.25 164.77 11.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 110.297 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -86.11 49.78 1.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 110.318 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -152.82 26.19 0.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 53.04 33.83 15.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.576 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.446 ' CE1' HD12 ' A' ' 128' ' ' LEU . 3.1 m-85 -133.57 153.79 51.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.955 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -114.85 156.82 24.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 72.5 p -124.69 166.88 15.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.381 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -147.06 132.69 18.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 111.012 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.613 ' O ' HD22 ' A' ' 81' ' ' LEU . 61.0 mt -130.93 147.96 33.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.494 ' O ' ' HB2' ' A' ' 98' ' ' ALA . 40.7 t -76.48 138.05 40.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.006 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.454 ' HA ' HD21 ' A' ' 81' ' ' LEU . 0.1 OUTLIER -62.74 -74.16 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.561 ' HB3' ' CD2' ' A' ' 97' ' ' HIS . 1.1 tttt -44.48 -28.46 0.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.26 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.561 ' CD2' ' HB3' ' A' ' 96' ' ' LYS . 0.2 OUTLIER -122.44 52.11 1.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.616 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.494 ' HB2' ' O ' ' A' ' 94' ' ' SER . . . -97.9 -31.04 12.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -72.98 -24.04 60.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.326 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.592 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 2.4 mttt -79.81 1.23 27.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.242 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 45.78 64.78 1.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.323 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.592 ' CD1' ' O ' ' A' ' 100' ' ' LYS . 50.8 m0 -112.29 133.14 54.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 108.015 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.552 ' CE2' HD11 ' A' ' 93' ' ' ILE . 92.1 m-85 -112.73 148.7 34.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.864 HG13 HD11 ' A' ' 68' ' ' LEU . 70.0 t -63.51 -95.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.575 ' HA2' ' CE1' ' A' ' 127' ' ' PHE . . . 53.49 169.89 0.03 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 1.003 HD23 ' HA ' ' A' ' 112' ' ' CYS . 2.1 mt -137.14 132.9 34.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 0.785 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 111' ' ' SER . 44.7 mttt -50.83 179.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.76 -6.19 59.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -88.77 8.99 26.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 71.54 38.44 61.78 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.525 1.141 . . . . 0.0 111.028 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 107' ' ' LYS . 42.5 p -136.27 166.75 22.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 0.791 . . . . 0.0 109.986 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . 1.003 ' HA ' HD23 ' A' ' 106' ' ' LEU . 58.7 m -67.38 134.82 52.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 108.312 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.803 ' HZ1' HG22 ' A' ' 118' ' ' THR . 17.9 ttpp -90.88 126.92 36.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.435 ' O ' HG23 ' A' ' 118' ' ' THR . 0.0 OUTLIER -37.67 153.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.321 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.53 ' N ' ' CD ' ' A' ' 116' ' ' PRO . . . -79.35 -49.34 6.3 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.527 1.142 . . . . 0.0 111.026 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.589 ' HA ' ' CD1' ' A' ' 102' ' ' TRP . 18.3 Cg_endo -75.01 4.92 4.32 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.476 1.777 . . . . 0.0 111.007 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 3.2 mmt-85 -115.96 40.8 2.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.326 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.803 HG22 ' HZ1' ' A' ' 113' ' ' LYS . 16.6 p -126.63 167.12 16.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.367 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.547 ' O ' HD13 ' A' ' 125' ' ' ILE . 5.1 t-160 -163.89 -179.06 6.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.599 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -94.39 137.89 32.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 111.031 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 102.9 -6.97 52.31 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.453 1.095 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -80.21 161.2 25.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 0.773 . . . . 0.0 110.288 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.39 8.57 42.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.444 ' CB ' ' CE ' ' A' ' 113' ' ' LYS . . . -91.37 -50.39 5.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.246 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.547 HD13 ' O ' ' A' ' 119' ' ' HIS . 1.0 OUTLIER -64.87 -25.25 37.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 84.5 mt -74.19 106.83 6.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.575 ' CE1' ' HA2' ' A' ' 105' ' ' GLY . 0.7 OUTLIER -122.94 145.81 48.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 111.025 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.854 HD23 ' HD2' ' A' ' 129' ' ' PRO . 0.6 OUTLIER -127.64 117.73 21.18 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . 0.854 ' HD2' HD23 ' A' ' 128' ' ' LEU . 18.3 Cg_endo -75.02 118.67 5.34 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.504 1.791 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.502 ' CD2' ' O ' ' A' ' 128' ' ' LEU . 3.9 mm? -100.23 149.14 35.78 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 141.24 26.33 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.498 1.788 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.521 ' CG2' HD11 ' A' ' 8' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.899 ' O ' HG12 ' A' ' 132' ' ' VAL . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.906 0 N-CA-C 110.977 -0.432 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.461 ' CB ' ' O ' ' A' ' 130' ' ' LEU . 0.0 OUTLIER -144.91 170.49 16.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.688 ' N ' HD22 ' A' ' 8' ' ' LEU . 0.1 OUTLIER -110.16 148.27 32.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.574 ' HB3' ' CE1' ' A' ' 127' ' ' PHE . 2.5 mp -92.06 104.08 16.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -72.64 101.92 3.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 111.0 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.505 ' HB2' HD12 ' A' ' 106' ' ' LEU . 42.5 t -79.92 70.48 6.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 108.231 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 11' ' ' CYS . 78.7 p -36.35 -33.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.122 . . . . 0.0 110.019 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 11' ' ' CYS . 6.7 t30 -40.46 -50.38 2.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.614 ' O ' ' CE1' ' A' ' 16' ' ' HIS . . . -141.93 13.46 2.62 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.503 1.127 . . . . 0.0 110.969 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.517 ' O ' ' CG ' ' A' ' 16' ' ' HIS . . . 57.21 91.59 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.614 ' CE1' ' O ' ' A' ' 14' ' ' GLY . 52.3 m80 -158.65 160.99 37.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.449 0.735 . . . . 0.0 109.611 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.63 ' CD1' ' CB ' ' A' ' 8' ' ' LEU . 16.9 m-85 -109.54 142.07 41.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 0.0 111.006 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.689 ' CD1' HD21 ' A' ' 106' ' ' LEU . 11.9 tp -79.21 112.79 16.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.838 ' HB3' HG22 ' A' ' 37' ' ' ILE . 2.0 ptm180 -117.68 151.8 36.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 110.289 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.2 mt -124.85 116.68 47.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.46 HD12 ' CG2' ' A' ' 25' ' ' THR . 26.5 mt -78.63 157.51 77.02 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.13 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -4.04 14.82 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.495 1.787 . . . . 0.0 111.025 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.09 6.92 47.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.74 46.82 10.61 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.527 1.142 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.46 ' CG2' HD12 ' A' ' 21' ' ' LEU . 1.2 m -126.6 147.51 49.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 110.364 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.3 t -130.37 120.83 49.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -147.91 161.44 41.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -89.88 153.57 23.17 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.545 1.153 . . . . 0.0 111.006 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.6 t -162.37 125.2 2.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 0.742 . . . . 0.0 110.386 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.48 54.46 1.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -143.18 86.3 1.9 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.265 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.462 ' O ' ' C ' ' A' ' 33' ' ' SER . 1.2 mpp_? -41.13 -41.62 1.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.462 ' C ' ' O ' ' A' ' 32' ' ' ARG . 0.3 OUTLIER -34.47 -36.71 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.979 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 32' ' ' ARG . 0.4 OUTLIER -57.7 132.38 53.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.256 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -104.1 21.17 16.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 36.4 m80 -120.48 14.34 11.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.65 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.838 HG22 ' HB3' ' A' ' 19' ' ' ARG . 15.7 pt -102.87 -35.63 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.421 ' HG2' HG11 ' A' ' 132' ' ' VAL . 58.4 mt-30 -46.68 97.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.618 HD23 ' HA ' ' A' ' 53' ' ' SER . 15.2 mt -103.78 146.74 28.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.52 ' HG3' HG21 ' A' ' 54' ' ' THR . 0.0 OUTLIER -105.75 119.95 40.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 0.0 110.296 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.05 136.27 39.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.9 m -137.26 158.83 43.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.002 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -122.4 124.44 43.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.437 ' CG ' ' CD2' ' A' ' 50' ' ' TYR . 3.8 mm-40 -104.48 -52.64 2.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.091 . . . . 0.0 110.336 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -128.22 162.66 26.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.007 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.4 p -57.92 122.42 7.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 109.267 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.73 16.28 79.4 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.546 1.154 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.555 ' HB3' HD11 ' A' ' 79' ' ' LEU . 9.4 mt-10 -127.11 133.48 50.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 0.751 . . . . 0.0 110.312 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.0 m -140.8 147.52 22.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.437 ' CD2' ' CG ' ' A' ' 44' ' ' GLU . 0.7 OUTLIER -115.67 145.32 42.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.997 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.422 ' CG2' HD13 ' A' ' 39' ' ' LEU . 8.0 mt -126.43 113.19 32.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.405 ' HG2' ' N ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -131.79 143.03 49.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.618 ' HA ' HD23 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -78.32 136.65 37.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.038 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.52 HG21 ' HG3' ' A' ' 40' ' ' GLN . 79.4 p -94.77 19.55 9.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.418 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.497 ' OE2' ' N ' ' A' ' 54' ' ' THR . 1.1 pm0 -112.76 -63.31 1.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.9 p -88.1 -46.87 8.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.356 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 108.0 38.69 1.96 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.502 1.126 . . . . 0.0 110.994 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -111.88 144.91 40.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 0.774 . . . . 0.0 110.3 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 5.2 m-30 -92.99 139.83 30.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.9 tp -77.0 117.29 18.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -139.14 150.84 46.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 109.243 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 51.2 ttm -104.18 120.58 41.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 110.953 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -71.74 -179.49 2.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 37.9 p -78.32 -6.05 53.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.41 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.46 -16.3 40.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.347 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 99.23 -9.91 61.39 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.428 HD13 ' N ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -87.1 157.72 19.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 0.755 . . . . 0.0 109.29 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.667 HD11 HG13 ' A' ' 104' ' ' VAL . 5.3 mt -96.37 144.4 26.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.557 ' CD1' ' C ' ' A' ' 69' ' ' TYR . 1.8 p90 -153.18 160.76 42.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -89.09 122.55 6.47 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.482 1.114 . . . . 0.0 110.98 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.6 t -86.73 139.86 30.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 0.0 110.001 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -70.52 -34.44 72.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.9 p -121.77 158.35 54.68 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.402 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 112.25 3.52 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.51 1.795 . . . . 0.0 111.013 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -126.98 154.46 44.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.337 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -48.7 -23.76 1.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.434 1.084 . . . . 0.0 110.277 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -64.95 -24.0 67.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.157 . . . . 0.0 110.266 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 32.4 m -82.78 -16.47 47.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 108.263 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.555 HD11 ' HB3' ' A' ' 48' ' ' GLU . 3.2 tp -87.37 129.31 35.07 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.41 ' HA ' ' O ' ' A' ' 93' ' ' ILE . 13.6 m-85 -128.53 164.43 22.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.516 HD21 ' HA ' ' A' ' 95' ' ' LYS . 0.6 OUTLIER -104.13 131.38 51.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.2 145.36 35.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.331 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -147.78 163.9 35.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.511 HD13 ' N ' ' A' ' 85' ' ' GLU . 0.2 OUTLIER -102.76 127.52 49.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.511 ' N ' HD13 ' A' ' 84' ' ' LEU . 3.3 mm-40 -97.95 164.45 12.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -89.11 40.59 0.99 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 110.335 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -143.61 19.6 1.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.505 ' O ' HD11 ' A' ' 128' ' ' LEU . 0.8 OUTLIER 62.27 21.83 12.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.559 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.816 ' CD1' HD13 ' A' ' 128' ' ' LEU . 4.3 m-85 -117.34 160.98 20.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -114.7 156.47 24.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.456 HG22 ' O ' ' A' ' 125' ' ' ILE . 1.0 OUTLIER -131.54 156.69 45.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 110.358 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -140.39 132.84 28.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 110.988 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.703 HD11 ' CE2' ' A' ' 103' ' ' PHE . 59.0 mt -130.74 141.62 45.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.61 138.93 56.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.013 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.516 ' HA ' HD21 ' A' ' 81' ' ' LEU . 9.8 tttt -66.42 -66.5 0.54 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.472 ' HB3' ' CD2' ' A' ' 97' ' ' HIS . 15.7 mttt -48.14 -27.41 2.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.345 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.519 ' CD2' ' N ' ' A' ' 97' ' ' HIS . 0.5 OUTLIER -122.96 52.02 1.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.632 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -91.41 -37.49 13.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.097 . . . . 0.0 109.253 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -72.51 -19.18 61.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.311 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.473 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 3.3 mtpt -81.66 -2.73 51.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 48.14 64.88 1.48 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.473 ' CD1' ' O ' ' A' ' 100' ' ' LYS . 46.9 m0 -111.67 131.89 54.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 107.981 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.703 ' CE2' HD11 ' A' ' 93' ' ' ILE . 86.0 m-85 -114.99 146.34 41.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.667 HG13 HD11 ' A' ' 68' ' ' LEU . 79.6 t -64.81 -91.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.459 ' N ' HG12 ' A' ' 104' ' ' VAL . . . 53.01 169.2 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.532 1.145 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.905 HD23 ' HA ' ' A' ' 112' ' ' CYS . 3.5 mt -138.55 135.53 35.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 0.781 . . . . 0.0 109.292 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 111' ' ' SER . 6.4 mttt -53.62 -173.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -88.98 -6.94 56.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -91.74 7.17 43.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 73.96 36.78 51.45 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.46 1.1 . . . . 0.0 111.017 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 107' ' ' LYS . 3.6 m -128.18 165.75 19.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 0.785 . . . . 0.0 110.013 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . 0.905 ' HA ' HD23 ' A' ' 106' ' ' LEU . 24.4 p -73.52 135.01 43.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 108.336 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.868 ' HE3' HG22 ' A' ' 118' ' ' THR . 30.8 ttpt -90.93 129.37 36.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.519 ' O ' HG23 ' A' ' 118' ' ' THR . 0.6 OUTLIER -38.15 150.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.578 ' N ' ' CD ' ' A' ' 116' ' ' PRO . . . -78.85 -46.54 8.39 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 115' ' ' GLY . 18.1 Cg_endo -75.03 3.43 5.64 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.474 1.776 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -119.1 44.04 2.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.142 . . . . 0.0 110.256 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.868 HG22 ' HE3' ' A' ' 113' ' ' LYS . 16.5 p -124.5 166.94 15.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.433 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -174.15 177.76 2.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.585 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -91.32 123.67 34.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 130.4 -17.01 5.37 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.464 1.103 . . . . 0.0 111.052 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -85.62 147.68 26.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 0.772 . . . . 0.0 110.305 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.405 ' C ' ' OD1' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -92.45 26.83 2.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -102.39 -46.16 4.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.456 ' O ' HG22 ' A' ' 91' ' ' THR . 6.9 pt -63.7 -28.06 44.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.453 ' HB3' ' CG ' ' A' ' 89' ' ' TYR . 19.8 mt -70.87 134.44 47.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.574 ' CE1' ' HB3' ' A' ' 9' ' ' LEU . 0.5 OUTLIER -137.59 154.43 49.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.961 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.816 HD13 ' CD1' ' A' ' 89' ' ' TYR . 4.9 tp -134.24 109.14 11.46 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . 0.445 ' HA ' ' O ' ' A' ' 8' ' ' LEU . 18.2 Cg_endo -75.01 122.7 7.37 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.556 1.819 . . . . 0.0 110.986 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.491 ' CD2' ' O ' ' A' ' 128' ' ' LEU . 3.8 mm? -103.06 140.0 20.64 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 130' ' ' LEU . 18.3 Cg_endo -74.95 103.91 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.477 1.778 . . . . 0.0 111.022 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.899 HG12 ' O ' ' A' ' 6' ' ' PRO . 2.5 p . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.44 ' O ' HG12 ' A' ' 132' ' ' VAL . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.841 0 N-CA-C 110.973 -0.433 . . . . 0.0 110.973 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.9 mttm -144.64 152.92 41.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.631 ' N ' HD22 ' A' ' 8' ' ' LEU . 0.3 OUTLIER -114.07 151.13 32.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.288 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.599 HD23 ' HB3' ' A' ' 18' ' ' LEU . 1.9 mm? -95.96 129.12 43.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -100.73 120.35 39.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 111.01 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 12' ' ' SER . 49.1 t -103.9 72.51 1.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 108.282 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 11' ' ' CYS . 1.9 t -35.61 -38.01 0.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.11 . . . . 0.0 110.012 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' A' ' 12' ' ' SER . 41.6 t30 -38.44 -56.93 1.2 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -117.08 -35.07 1.15 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.538 1.149 . . . . 0.0 111.018 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 11' ' ' CYS . . . 96.77 50.34 1.82 Allowed Glycine 0 CA--C 1.53 1.031 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.551 ' CD2' ' HA2' ' A' ' 110' ' ' GLY . 23.4 m80 -120.31 149.98 41.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 0.771 . . . . 0.0 109.577 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.585 ' CE2' ' HG3' ' A' ' 32' ' ' ARG . 3.7 m-85 -96.55 139.79 32.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 111.024 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.599 ' HB3' HD23 ' A' ' 9' ' ' LEU . 11.6 tp -79.1 114.99 18.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.886 ' HB3' HG22 ' A' ' 37' ' ' ILE . 5.5 ptm180 -125.64 154.62 42.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.578 1.174 . . . . 0.0 110.302 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.568 HD11 ' HB2' ' A' ' 60' ' ' LEU . 56.0 mt -124.16 121.66 62.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.142 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.521 HD12 ' HB ' ' A' ' 25' ' ' THR . 28.4 mt -86.08 157.63 56.62 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 0.36 9.02 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.523 1.801 . . . . 0.0 110.983 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.71 -0.34 40.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.339 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.23 43.05 7.67 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.447 1.092 . . . . 0.0 110.956 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.521 ' HB ' HD12 ' A' ' 21' ' ' LEU . 2.4 m -126.84 147.28 50.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 0.772 . . . . 0.0 110.389 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.664 HG13 ' O ' ' A' ' 19' ' ' ARG . 5.2 t -135.62 122.97 35.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.461 ' OD1' HG22 ' A' ' 25' ' ' THR . 0.0 OUTLIER -146.23 162.92 37.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -89.16 140.16 15.59 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.479 1.112 . . . . 0.0 111.047 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.1 t -136.6 162.44 33.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 0.75 . . . . 0.0 110.427 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.472 ' HE ' ' CD2' ' A' ' 16' ' ' HIS . 78.9 mtt180 -123.16 42.08 3.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 33' ' ' SER . 4.7 t0 -133.05 70.9 1.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.585 ' HG3' ' CE2' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -38.03 -31.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.31 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 31' ' ' ASP . 0.3 OUTLIER -46.77 -38.28 9.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.0 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.714 ' OD2' HG23 ' A' ' 37' ' ' ILE . 21.9 t70 -43.8 143.63 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -102.6 -25.51 13.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.281 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 54.7 m80 -65.24 -31.47 72.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.618 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.886 HG22 ' HB3' ' A' ' 19' ' ' ARG . 44.3 pt -59.85 -36.21 65.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.422 ' HG2' HG11 ' A' ' 132' ' ' VAL . 56.6 mt-30 -46.78 95.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.277 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.734 HD23 ' HA ' ' A' ' 53' ' ' SER . 37.7 mt -106.32 140.84 38.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.819 ' HG2' HG22 ' A' ' 54' ' ' THR . 0.0 OUTLIER -104.99 114.56 28.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.128 . . . . 0.0 110.35 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.861 ' CD1' HG23 ' A' ' 51' ' ' ILE . 0.3 OUTLIER -91.83 135.99 33.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.416 ' O ' ' HA ' ' A' ' 49' ' ' VAL . 6.5 m -133.34 161.02 35.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 110.026 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -120.37 129.47 53.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.414 ' CG ' ' CD2' ' A' ' 50' ' ' TYR . 4.2 mm-40 -112.2 -52.66 2.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.7 165.63 20.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.98 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.8 p -60.05 121.27 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.421 ' O ' HD12 ' A' ' 81' ' ' LEU . . . 76.65 23.96 68.7 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.532 1.145 . . . . 0.0 110.971 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.583 ' HB3' HD11 ' A' ' 79' ' ' LEU . 14.9 mt-10 -133.64 133.31 41.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 0.781 . . . . 0.0 110.318 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.416 ' HA ' ' O ' ' A' ' 42' ' ' SER . 6.2 m -140.91 148.45 21.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.157 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.414 ' CD2' ' CG ' ' A' ' 44' ' ' GLU . 0.9 OUTLIER -116.32 131.98 56.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 111.009 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.861 HG23 ' CD1' ' A' ' 41' ' ' LEU . 6.5 mt -117.69 113.22 41.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -133.86 152.8 51.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.734 ' HA ' HD23 ' A' ' 39' ' ' LEU . 0.3 OUTLIER -78.89 137.26 37.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.819 HG22 ' HG2' ' A' ' 40' ' ' GLN . 71.5 p -88.31 -10.05 50.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.465 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.43 -73.93 0.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 110.274 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 82.2 p -69.41 -66.24 0.61 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.45 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 122.82 47.55 0.26 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.477 1.111 . . . . 0.0 110.998 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -125.03 136.11 53.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 0.732 . . . . 0.0 110.315 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -79.7 144.15 33.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 0.0 111.003 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.568 ' HB2' HD11 ' A' ' 20' ' ' ILE . 8.7 tp -77.37 119.41 20.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.544 ' HB2' ' SG ' ' A' ' 78' ' ' CYS . . . -138.35 147.77 43.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.133 . . . . 0.0 109.254 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 31.6 ttm -104.21 116.3 31.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 111.029 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.59 ' OD2' ' CD2' ' A' ' 69' ' ' TYR . 1.0 OUTLIER -66.9 -171.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 61.5 p -83.06 -15.35 51.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.403 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.673 ' HB3' HD22 ' A' ' 67' ' ' LEU . 4.3 m-20 -77.88 -8.56 58.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.7 -13.67 65.09 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.486 1.116 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.673 HD22 ' HB3' ' A' ' 65' ' ' ASP . 0.3 OUTLIER -78.83 156.48 28.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 0.753 . . . . 0.0 109.321 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.735 HD21 HG22 ' A' ' 104' ' ' VAL . 3.8 mt -95.84 142.18 28.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.267 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.59 ' CD2' ' OD2' ' A' ' 63' ' ' ASP . 1.5 p90 -151.68 155.03 37.5 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -88.21 128.22 8.96 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.1 t -92.01 139.99 30.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 0.742 . . . . 0.0 109.999 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -62.3 -37.62 86.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.309 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.4 p -123.48 160.25 51.51 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.378 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 111.14 3.26 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.523 1.801 . . . . 0.0 111.029 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 65.4 m-80 -123.53 157.21 34.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.308 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -50.87 -24.57 3.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 110.287 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -69.14 -11.01 60.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.544 ' SG ' ' HB2' ' A' ' 61' ' ' ALA . 34.7 m -97.64 -15.04 20.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 108.337 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.583 HD11 ' HB3' ' A' ' 48' ' ' GLU . 3.4 tp -84.89 122.91 29.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -124.4 164.36 19.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.64 HD22 ' N ' ' A' ' 81' ' ' LEU . 0.3 OUTLIER -104.24 128.02 51.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.413 ' HG2' ' N ' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -109.15 143.91 37.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 110.304 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.413 ' N ' ' HG2' ' A' ' 82' ' ' GLU . 0.1 OUTLIER -142.95 165.73 26.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.348 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.48 113.81 25.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.475 ' HG3' ' CG2' ' A' ' 91' ' ' THR . 2.4 mm-40 -102.72 165.44 11.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.34 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -66.54 178.8 1.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.358 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.402 ' HB3' ' CE2' ' A' ' 89' ' ' TYR . 25.6 m-20 61.9 15.06 6.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 57.47 70.37 0.66 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.611 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.626 ' CE1' HD12 ' A' ' 128' ' ' LEU . 18.0 m-85 -144.1 164.87 29.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.967 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -122.4 153.31 39.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.475 ' CG2' ' HG3' ' A' ' 85' ' ' GLU . 18.5 p -129.96 163.45 26.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.371 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -146.7 133.74 20.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.978 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.588 ' O ' HD22 ' A' ' 81' ' ' LEU . 32.9 mt -134.08 137.1 52.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.1 t -64.36 138.17 58.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.983 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.51 ' HA ' HD21 ' A' ' 81' ' ' LEU . 0.7 OUTLIER -64.75 -70.07 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.259 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.545 ' HB3' ' CD2' ' A' ' 97' ' ' HIS . 2.6 mttt -46.24 -29.28 1.54 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.545 ' CD2' ' HB3' ' A' ' 96' ' ' LYS . 0.3 OUTLIER -122.24 54.72 1.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.58 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.45 ' HA ' ' CG2' ' A' ' 93' ' ' ILE . . . -92.02 -35.95 13.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -73.78 -19.63 60.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.566 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 1.1 mtpt -77.65 -4.01 43.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 47.57 64.16 1.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.566 ' CD1' ' O ' ' A' ' 100' ' ' LYS . 49.3 m0 -112.6 132.51 55.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 107.968 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.583 ' CE2' HD11 ' A' ' 93' ' ' ILE . 95.4 m-85 -114.33 148.89 36.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.735 HG22 HD21 ' A' ' 68' ' ' LEU . 31.3 t -73.53 -21.56 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.493 ' C ' ' O ' ' A' ' 104' ' ' VAL . . . -30.31 145.08 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.515 1.134 . . . . 0.0 111.013 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.75 HD23 ' HA ' ' A' ' 112' ' ' CYS . 1.6 mt -106.63 148.68 28.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 0.78 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 111' ' ' SER . 3.4 mtpt -55.7 -168.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.407 ' CG ' ' O ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -104.13 -9.72 18.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 23.1 m-20 -91.91 23.63 3.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.311 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.551 ' HA2' ' CD2' ' A' ' 16' ' ' HIS . . . 63.48 41.41 99.28 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.423 1.077 . . . . 0.0 111.028 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.481 ' O ' ' N ' ' A' ' 107' ' ' LYS . 4.8 m -137.84 164.85 27.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 0.77 . . . . 0.0 110.033 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . 0.75 ' HA ' HD23 ' A' ' 106' ' ' LEU . 26.8 p -75.62 135.16 40.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 108.261 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.654 ' HD3' HG22 ' A' ' 118' ' ' THR . 13.5 tttt -91.28 112.93 25.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.309 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 113' ' ' LYS . 0.1 OUTLIER -36.62 130.23 0.75 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.498 ' N ' ' CD ' ' A' ' 116' ' ' PRO . . . -46.13 -51.31 11.51 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 115' ' ' GLY . 18.2 Cg_endo -74.95 7.68 2.74 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.475 1.776 . . . . 0.0 110.996 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 7.1 mmt180 -122.17 42.72 3.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.331 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.654 HG22 ' HD3' ' A' ' 113' ' ' LYS . 14.1 p -129.56 167.47 17.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 110.393 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.729 ' O ' HD13 ' A' ' 125' ' ' ILE . 41.0 m-70 -147.47 173.04 13.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.153 . . . . 0.0 109.596 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.478 ' HA ' ' CD1' ' A' ' 125' ' ' ILE . 1.6 t80 -94.44 137.2 33.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 111.014 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . 0.534 ' H ' HD11 ' A' ' 125' ' ' ILE . . . 87.11 15.66 62.26 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.467 1.105 . . . . 0.0 111.024 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.441 ' NE2' ' HB2' ' A' ' 119' ' ' HIS . 10.8 mt-30 -96.31 136.89 36.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 0.786 . . . . 0.0 110.312 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.648 ' HA ' HD12 ' A' ' 126' ' ' LEU . 0.6 OUTLIER -57.28 -17.35 11.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -69.47 -62.05 1.54 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.729 HD13 ' O ' ' A' ' 119' ' ' HIS . 1.3 pt -58.54 -33.45 48.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.648 HD12 ' HA ' ' A' ' 123' ' ' LYS . 52.1 mt -62.25 100.79 0.19 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.095 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.551 ' CD1' ' HB3' ' A' ' 9' ' ' LEU . 1.6 m-85 -109.14 132.78 53.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 0.0 110.994 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.867 HD23 ' HD2' ' A' ' 129' ' ' PRO . 0.8 OUTLIER -116.39 120.25 35.09 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . 0.867 ' HD2' HD23 ' A' ' 128' ' ' LEU . 18.2 Cg_endo -75.04 122.96 7.52 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.458 1.767 . . . . 0.0 111.03 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 36.9 mt -106.26 150.76 39.81 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 154.89 43.01 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.536 1.809 . . . . 0.0 111.02 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.581 ' HB ' HD21 ' A' ' 8' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.48 ' O ' HG12 ' A' ' 132' ' ' VAL . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.91 0 N-CA-C 111.028 -0.412 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -135.17 162.37 32.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.813 HD22 HD12 ' A' ' 37' ' ' ILE . 0.4 OUTLIER -118.15 143.89 46.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.769 HD21 ' CE2' ' A' ' 92' ' ' TYR . 2.9 mp -92.19 127.79 37.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 109.346 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.465 ' HB2' ' CD2' ' A' ' 130' ' ' LEU . 34.3 t80 -104.72 119.3 38.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 0.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 13' ' ' ASN . 42.3 t -96.91 77.18 2.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 108.325 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 11' ' ' CYS . 25.1 p -37.74 -31.88 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.986 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 11' ' ' CYS . 23.9 t30 -40.47 -67.43 0.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 109.246 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.41 ' CA ' ' HG2' ' A' ' 108' ' ' LYS . . . -116.01 -20.17 5.34 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.518 1.137 . . . . 0.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.476 ' O ' ' CG ' ' A' ' 16' ' ' HIS . . . 85.75 95.44 0.78 Allowed Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.582 ' CD2' ' HB2' ' A' ' 30' ' ' ARG . 73.2 m80 -158.13 178.18 10.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 0.751 . . . . 0.0 109.597 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.41 ' CE2' ' HG2' ' A' ' 32' ' ' ARG . 10.6 m-85 -127.21 141.91 51.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.981 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.717 ' CD1' HD21 ' A' ' 106' ' ' LEU . 11.9 tp -79.12 114.04 17.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.859 ' HD2' HD21 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -118.56 151.65 37.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 110.347 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.708 HD11 ' HB2' ' A' ' 60' ' ' LEU . 13.3 mt -122.5 108.21 21.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.859 HD21 ' HD2' ' A' ' 19' ' ' ARG . 34.9 mt -83.02 157.5 66.07 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -0.65 10.23 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.481 1.779 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.52 -8.61 28.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.169 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 88.86 47.96 4.03 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.459 1.1 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.624 ' HB ' HD12 ' A' ' 21' ' ' LEU . 3.0 m -126.11 134.47 51.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 0.763 . . . . 0.0 110.422 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.482 HG11 ' CD1' ' A' ' 60' ' ' LEU . 2.8 t -132.87 106.01 9.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.407 ' OD2' ' CG2' ' A' ' 25' ' ' THR . 0.6 OUTLIER -150.39 162.16 41.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.43 130.63 15.8 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.494 ' O ' ' C ' ' A' ' 30' ' ' ARG . 4.4 t -120.03 -5.38 10.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 0.0 110.41 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.582 ' HB2' ' CD2' ' A' ' 16' ' ' HIS . 17.4 ttt180 31.39 40.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 29' ' ' THR . 0.4 OUTLIER -132.64 109.75 9.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.41 ' HG2' ' CE2' ' A' ' 17' ' ' PHE . 5.1 mtm-85 -70.26 -22.86 62.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.86 -43.71 77.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.973 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.46 144.4 4.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.117 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -108.05 0.95 22.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.291 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.478 ' CD2' ' HG2' ' A' ' 55' ' ' GLU . 7.0 m80 -99.89 0.4 41.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.553 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.813 HD12 HD22 ' A' ' 8' ' ' LEU . 10.3 pt -85.42 -34.35 8.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -54.31 92.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.336 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.581 HD21 ' CD1' ' A' ' 20' ' ' ILE . 26.6 mt -98.31 146.6 25.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.449 ' HB2' ' CG2' ' A' ' 54' ' ' THR . 0.0 OUTLIER -105.73 115.5 30.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 110.276 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.42 135.93 34.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.346 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.4 ' O ' ' HA ' ' A' ' 49' ' ' VAL . 29.7 t -131.78 163.28 28.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.996 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -122.66 127.19 48.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -113.98 -44.99 3.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.127 . . . . 0.0 110.289 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.21 166.2 18.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.971 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 77.9 t -68.79 114.4 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.401 ' O ' ' HA ' ' A' ' 81' ' ' LEU . . . 90.11 5.73 70.04 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.43 1.082 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.926 ' HG2' HD23 ' A' ' 81' ' ' LEU . 11.0 mt-10 -120.17 142.19 49.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 0.732 . . . . 0.0 110.252 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 42' ' ' SER . 36.0 m -138.06 151.4 25.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -118.84 133.22 55.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.8 mt -117.61 117.21 54.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.555 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 0.1 OUTLIER -127.25 152.81 46.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.255 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.8 t -81.5 137.03 35.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.988 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.449 ' CG2' ' HB2' ' A' ' 40' ' ' GLN . 35.6 p -101.29 4.52 41.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.401 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.478 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 46.5 tp10 -109.62 -80.99 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.262 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.467 ' OG1' ' N ' ' A' ' 57' ' ' GLY . 62.3 p -59.06 -77.35 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.423 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.467 ' N ' ' OG1' ' A' ' 56' ' ' THR . . . 141.39 44.75 0.06 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.456 1.098 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.494 HE21 HG22 ' A' ' 20' ' ' ILE . 4.3 mt-30 -129.32 160.08 34.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 0.773 . . . . 0.0 110.32 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.555 ' CD1' ' HG2' ' A' ' 52' ' ' LYS . 5.2 m-30 -104.59 143.23 33.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 111.022 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.708 ' HB2' HD11 ' A' ' 20' ' ' ILE . 3.9 tp -77.34 110.47 12.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.466 ' HB2' ' SG ' ' A' ' 78' ' ' CYS . . . -140.73 154.34 46.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.504 ' HE2' HD21 ' A' ' 68' ' ' LEU . 5.0 tpp -104.69 131.1 52.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.404 ' CG ' ' CE2' ' A' ' 69' ' ' TYR . 0.4 OUTLIER -82.45 -168.4 1.98 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.5 p -82.97 -1.04 51.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.407 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -91.8 -6.06 52.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.424 ' C ' HD13 ' A' ' 67' ' ' LEU . . . 82.56 7.7 87.12 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.5 1.125 . . . . 0.0 111.028 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.424 HD13 ' C ' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -101.66 168.42 9.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 0.787 . . . . 0.0 109.314 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.538 HD21 HG22 ' A' ' 104' ' ' VAL . 7.5 mt -106.3 140.63 38.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.535 ' CD1' ' C ' ' A' ' 69' ' ' TYR . 3.3 p90 -146.19 154.33 41.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 110.983 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -75.56 111.08 3.23 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.507 1.13 . . . . 0.0 110.979 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.07 131.82 34.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 0.801 . . . . 0.0 109.99 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -72.49 -51.86 18.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 110.303 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.6 p -98.83 156.58 35.4 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.392 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 115.33 4.26 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.462 1.77 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -127.0 151.93 47.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 109.274 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -45.85 -31.09 1.94 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.117 . . . . 0.0 110.325 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.553 ' O ' ' CE1' ' A' ' 80' ' ' PHE . 46.5 mt-10 -59.07 -32.53 69.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.305 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.466 ' SG ' ' HB2' ' A' ' 61' ' ' ALA . 61.7 m -72.63 -17.54 61.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.56 1.162 . . . . 0.0 108.277 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.588 HD11 ' HB3' ' A' ' 48' ' ' GLU . 2.5 tp -90.57 117.83 29.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.553 ' CE1' ' O ' ' A' ' 77' ' ' GLU . 23.9 m-85 -118.76 164.13 15.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.926 HD23 ' HG2' ' A' ' 48' ' ' GLU . 4.5 mt -104.19 127.17 51.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -108.68 148.41 30.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 110.255 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.74 166.63 30.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 110.326 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.474 HD13 ' N ' ' A' ' 85' ' ' GLU . 0.7 OUTLIER -95.63 121.64 37.54 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.568 ' HG3' HG23 ' A' ' 91' ' ' THR . 1.2 mm-40 -112.33 161.52 16.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.27 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -63.69 175.57 1.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.4 m-20 63.54 13.45 7.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 2.7 t60 60.22 63.8 1.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.137 . . . . 0.0 109.595 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.553 ' CE1' HD12 ' A' ' 128' ' ' LEU . 2.7 m-85 -142.89 152.57 42.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.965 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -113.72 155.18 26.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.568 HG23 ' HG3' ' A' ' 85' ' ' GLU . 31.5 p -126.95 163.25 24.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 110.407 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.769 ' CE2' HD21 ' A' ' 9' ' ' LEU . 45.3 m-85 -142.24 133.18 25.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 111.037 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.597 HD11 ' CE2' ' A' ' 103' ' ' PHE . 46.1 mt -137.3 139.21 44.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.8 t -61.99 138.27 58.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.964 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 24.7 tttt -73.66 -48.73 30.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.51 ' HB3' ' CD2' ' A' ' 97' ' ' HIS . 0.7 OUTLIER -63.63 -27.62 69.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.527 ' CD2' ' N ' ' A' ' 97' ' ' HIS . 0.5 OUTLIER -121.13 37.8 4.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.597 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.54 -44.39 82.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -69.77 -12.2 61.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.321 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.534 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 13.2 mttt -83.11 -9.84 59.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.452 1.095 . . . . 0.0 109.345 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 49.61 63.67 2.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.534 ' CD1' ' O ' ' A' ' 100' ' ' LYS . 48.3 m0 -112.97 132.18 55.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 108.009 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.597 ' CE2' HD11 ' A' ' 93' ' ' ILE . 84.2 m-85 -114.25 149.16 36.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.538 HG22 HD21 ' A' ' 68' ' ' LEU . 23.8 t -75.15 -22.0 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.519 ' HA2' ' CE2' ' A' ' 127' ' ' PHE . . . -32.93 147.94 0.01 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.493 1.121 . . . . 0.0 110.984 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.717 HD21 ' CD1' ' A' ' 18' ' ' LEU . 1.0 OUTLIER -107.29 154.13 21.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 0.766 . . . . 0.0 109.318 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 111' ' ' SER . 34.3 mttm -60.97 -164.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.41 ' HG2' ' CA ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER -108.8 -6.23 15.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.26 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -92.69 5.01 52.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 84.26 31.83 24.39 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.513 1.133 . . . . 0.0 111.014 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.471 ' O ' ' N ' ' A' ' 107' ' ' LYS . 95.7 p -129.82 167.53 17.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 0.786 . . . . 0.0 109.99 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 16.1 p -76.2 135.55 39.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 108.288 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.731 ' CD ' HG22 ' A' ' 118' ' ' THR . 9.8 ttmm -89.78 114.48 26.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.336 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 113' ' ' LYS . 0.8 OUTLIER -38.85 131.78 1.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 110.267 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.543 ' N ' ' CD ' ' A' ' 116' ' ' PRO . . . -52.77 -48.53 56.57 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.461 1.1 . . . . 0.0 111.027 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.543 ' CD ' ' N ' ' A' ' 115' ' ' GLY . 18.4 Cg_endo -75.01 6.01 3.65 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.513 1.796 . . . . 0.0 110.973 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -116.42 8.27 14.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.306 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.731 HG22 ' CD ' ' A' ' 113' ' ' LYS . 1.3 p -114.52 152.55 31.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 110.412 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -163.1 -166.52 1.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.629 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -89.18 135.86 33.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 115.73 -14.51 17.27 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.53 1.144 . . . . 0.0 110.95 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -87.95 153.45 21.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 0.761 . . . . 0.0 110.343 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -95.74 20.66 9.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -99.9 -45.31 5.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.565 ' HB ' ' CD2' ' A' ' 103' ' ' PHE . 5.1 pt -56.89 -32.43 38.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 42.4 mt -62.54 123.81 19.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.571 ' CE1' ' HB3' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -137.89 137.05 37.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.985 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.857 HD23 ' HD2' ' A' ' 129' ' ' PRO . 0.7 OUTLIER -121.87 120.73 28.4 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . 0.857 ' HD2' HD23 ' A' ' 128' ' ' LEU . 18.2 Cg_endo -74.98 106.81 2.35 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.503 1.791 . . . . 0.0 111.01 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.56 HD22 ' O ' ' A' ' 128' ' ' LEU . 2.7 mm? -87.41 149.02 45.85 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.351 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 130' ' ' LEU . 18.2 Cg_endo -74.99 133.14 16.24 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.51 1.794 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.521 ' CG2' HD11 ' A' ' 8' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.896 0 N-CA-C 111.027 -0.413 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.623 ' HB3' HD22 ' A' ' 41' ' ' LEU . 1.3 tppt? -141.88 165.37 27.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.467 ' O ' ' HA ' ' A' ' 129' ' ' PRO . 15.2 mt -124.44 137.9 54.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.744 ' CD1' HD21 ' A' ' 41' ' ' LEU . 1.9 mp -92.3 107.51 19.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.336 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.467 ' O ' ' CD1' ' A' ' 127' ' ' PHE . 20.5 t80 -86.23 152.01 23.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.461 ' O ' ' N ' ' A' ' 15' ' ' GLY . 43.9 t -130.26 77.09 1.77 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 108.298 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 11' ' ' CYS . 11.1 p -35.12 -35.7 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.982 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 11' ' ' CYS . 24.9 t30 -42.0 -51.9 4.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -122.05 -36.37 0.71 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 11' ' ' CYS . . . 95.35 68.54 1.02 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 29.5 m80 -141.81 171.82 13.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 0.781 . . . . 0.0 109.618 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -111.27 141.92 44.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 111.022 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.812 ' CD1' HD21 ' A' ' 106' ' ' LEU . 13.0 tp -80.12 110.51 15.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.928 ' HB3' HG22 ' A' ' 37' ' ' ILE . 3.7 ptm180 -111.44 152.17 27.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.271 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.519 HD11 ' HB2' ' A' ' 60' ' ' LEU . 12.9 mt -124.37 118.58 54.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.62 HD12 ' HB ' ' A' ' 25' ' ' THR . 20.2 mt -85.16 156.77 60.06 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -3.1 13.42 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.498 1.789 . . . . 0.0 111.01 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.79 -2.31 51.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.48 41.88 7.64 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.536 1.148 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.62 ' HB ' HD12 ' A' ' 21' ' ' LEU . 3.0 m -122.36 147.7 45.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 0.771 . . . . 0.0 110.374 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 15.0 t -129.53 120.2 50.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -144.86 162.22 37.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -91.65 152.37 21.43 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.512 1.132 . . . . 0.0 111.03 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.67 ' CG2' HG21 ' A' ' 37' ' ' ILE . 5.9 t -156.36 126.54 6.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 0.0 110.383 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.6 ttt-85 -101.35 55.88 0.84 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.254 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' A' ' 33' ' ' SER . 1.7 t0 -143.99 101.96 3.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -68.47 60.55 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 31' ' ' ASP . 0.1 OUTLIER -134.25 -46.55 0.77 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.986 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.4 ' HB3' HG23 ' A' ' 37' ' ' ILE . 1.1 t0 -44.35 132.68 5.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -90.63 28.74 1.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 3.4 m80 -126.32 -44.26 1.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 0.0 109.612 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.928 HG22 ' HB3' ' A' ' 19' ' ' ARG . 41.3 pt -46.88 -28.64 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -62.16 82.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 110.34 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.844 HD23 ' HA ' ' A' ' 53' ' ' SER . 18.8 mt -90.92 147.28 23.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.568 ' HG3' HG21 ' A' ' 54' ' ' THR . 0.0 OUTLIER -105.28 114.87 29.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.936 ' CD1' HG23 ' A' ' 51' ' ' ILE . 0.1 OUTLIER -92.88 135.64 33.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.7 m -139.9 157.18 46.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.993 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -114.94 125.41 53.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.26 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -113.03 -39.0 4.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.262 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.22 165.17 20.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.02 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.2 p -66.32 118.48 9.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.03 11.71 84.88 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.473 1.108 . . . . 0.0 111.061 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.669 ' HB3' HD11 ' A' ' 79' ' ' LEU . 21.3 mt-10 -119.42 139.79 51.45 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 0.762 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.7 m -136.76 150.89 27.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.543 ' CE2' HD22 ' A' ' 79' ' ' LEU . 2.9 m-85 -117.92 131.67 56.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 110.953 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.936 HG23 ' CD1' ' A' ' 41' ' ' LEU . 2.6 mt -115.66 108.22 24.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.563 ' HE3' ' CE1' ' A' ' 59' ' ' TYR . 31.0 tttt -127.04 145.89 50.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.844 ' HA ' HD23 ' A' ' 39' ' ' LEU . 0.4 OUTLIER -79.06 136.51 37.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 110.016 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.568 HG21 ' HG3' ' A' ' 40' ' ' GLN . 66.5 p -92.75 2.92 56.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 110.433 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.1 tp10 -104.37 -73.92 0.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 32.2 p -64.27 -57.45 9.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.422 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 115.25 27.51 3.12 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -109.03 158.75 17.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 0.766 . . . . 0.0 110.308 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.563 ' CE1' ' HE3' ' A' ' 52' ' ' LYS . 25.0 m-85 -103.98 146.97 27.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.971 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.555 HD23 HD12 ' A' ' 51' ' ' ILE . 6.8 tp -81.5 116.28 21.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.415 ' HB2' ' SG ' ' A' ' 78' ' ' CYS . . . -138.2 153.96 49.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 40.5 ttm -111.83 116.63 30.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.45 -161.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 54.6 p -85.21 -31.2 23.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 110.401 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -57.55 -18.33 18.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.48 -4.96 67.14 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.509 1.131 . . . . 0.0 110.961 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.26 162.69 16.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 0.731 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.681 HD11 HG13 ' A' ' 104' ' ' VAL . 5.5 mt -99.27 144.74 28.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.552 ' CD1' ' C ' ' A' ' 69' ' ' TYR . 2.9 p90 -152.01 151.9 31.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -78.73 121.79 5.7 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.533 1.146 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.433 ' OG ' ' HB2' ' A' ' 59' ' ' TYR . 2.1 p -86.14 136.99 32.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 0.736 . . . . 0.0 110.042 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.509 HE21 HG23 ' A' ' 73' ' ' THR . 3.2 pt20 -68.14 -33.28 74.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.509 HG23 HE21 ' A' ' 72' ' ' GLN . 18.4 p -126.74 157.11 72.37 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.427 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 110.09 3.05 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.438 1.757 . . . . 0.0 111.008 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -125.65 157.55 36.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -46.36 -34.44 4.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 110.294 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -57.0 -27.39 61.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 110.262 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.415 ' SG ' ' HB2' ' A' ' 61' ' ' ALA . 37.1 m -80.39 -19.28 46.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 108.3 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.669 HD11 ' HB3' ' A' ' 48' ' ' GLU . 2.7 tp -86.58 119.93 27.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.411 ' HA ' ' O ' ' A' ' 93' ' ' ILE . 6.3 m-85 -115.72 164.45 14.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.578 HD21 ' HA ' ' A' ' 95' ' ' LYS . 0.3 OUTLIER -104.12 125.55 50.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -109.24 148.85 30.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.279 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.08 165.87 31.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.278 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -94.25 108.73 20.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.497 ' HG3' ' CG2' ' A' ' 91' ' ' THR . 2.5 mt-10 -99.43 155.7 17.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.168 . . . . 0.0 110.327 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -54.19 -173.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 110.295 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.2 m-20 55.45 20.23 3.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 2.6 t60 51.88 62.15 2.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.609 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.565 ' CD1' HD13 ' A' ' 128' ' ' LEU . 2.0 m-85 -142.44 163.95 31.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -115.3 161.99 17.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.497 ' CG2' ' HG3' ' A' ' 85' ' ' GLU . 1.4 p -131.46 165.82 22.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.422 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.429 ' CD1' ' O ' ' A' ' 91' ' ' THR . 39.5 m-85 -148.02 132.74 17.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.173 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.685 HD11 ' CE2' ' A' ' 103' ' ' PHE . 28.2 mt -134.87 147.0 29.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.54 138.41 44.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.033 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.578 ' HA ' HD21 ' A' ' 81' ' ' LEU . 12.5 tttp -62.9 -71.63 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.535 ' HB3' ' CD2' ' A' ' 97' ' ' HIS . 4.1 tttt -47.91 -30.0 3.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.545 ' CD2' ' N ' ' A' ' 97' ' ' HIS . 0.3 OUTLIER -118.91 58.33 0.85 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.596 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -98.55 -53.69 3.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.0 -23.46 19.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.539 ' HD3' ' CZ2' ' A' ' 102' ' ' TRP . 3.6 mtpt -76.08 -5.97 48.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 50.73 64.33 1.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.246 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.539 ' CZ2' ' HD3' ' A' ' 100' ' ' LYS . 47.5 m0 -112.54 131.53 55.55 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.685 ' CE2' HD11 ' A' ' 93' ' ' ILE . 80.6 m-85 -114.45 146.85 40.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 111.012 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.681 HG13 HD11 ' A' ' 68' ' ' LEU . 70.0 t -60.77 -94.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.571 ' HA2' ' CE1' ' A' ' 127' ' ' PHE . . . 54.56 167.22 0.03 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.524 1.14 . . . . 0.0 110.951 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.943 HD23 ' HA ' ' A' ' 112' ' ' CYS . 3.2 mt -137.38 133.67 35.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 0.767 . . . . 0.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 111' ' ' SER . 9.7 mtmt -51.49 -177.62 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.326 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.37 -6.37 58.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -91.77 16.08 11.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 65.36 30.69 78.26 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 107' ' ' LYS . 14.7 m -124.28 167.24 14.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 0.781 . . . . 0.0 110.05 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . 0.943 ' HA ' HD23 ' A' ' 106' ' ' LEU . 20.9 p -72.78 135.23 45.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 108.298 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.35 126.8 35.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.462 ' CB ' ' HG3' ' A' ' 117' ' ' ARG . 0.1 OUTLIER -38.34 144.46 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.456 ' C ' ' H ' ' A' ' 117' ' ' ARG . . . -64.89 -58.54 9.65 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.469 1.105 . . . . 0.0 110.997 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.415 ' HB3' ' NE1' ' A' ' 102' ' ' TRP . 18.2 Cg_endo -75.01 40.79 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.502 1.79 . . . . 0.0 110.967 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.462 ' HG3' ' CB ' ' A' ' 114' ' ' ARG . 7.2 mmt180 -143.61 19.1 1.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.317 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.7 p -114.9 163.07 16.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.361 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -167.49 176.35 6.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.669 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -81.95 124.23 29.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 111.06 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 122.76 -7.25 9.52 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.499 1.124 . . . . 0.0 111.068 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -91.72 149.4 21.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 0.0 110.309 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.555 ' HD3' HD12 ' A' ' 126' ' ' LEU . 0.1 OUTLIER -86.47 10.09 16.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -90.83 -44.85 9.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.426 ' O ' HG22 ' A' ' 91' ' ' THR . 1.2 pt -62.0 -35.86 70.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.555 HD12 ' HD3' ' A' ' 123' ' ' LYS . 16.2 mt -69.57 112.16 5.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.571 ' CE1' ' HA2' ' A' ' 105' ' ' GLY . 0.5 OUTLIER -124.45 144.76 49.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.999 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.565 HD13 ' CD1' ' A' ' 89' ' ' TYR . 4.9 tp -129.58 117.18 18.53 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . 0.467 ' HA ' ' O ' ' A' ' 8' ' ' LEU . 18.1 Cg_endo -75.05 107.97 2.61 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.506 1.793 . . . . 0.0 110.979 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.428 ' HA ' ' HD3' ' A' ' 131' ' ' PRO . 81.4 mt -88.21 133.19 37.4 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 130' ' ' LEU . 18.4 Cg_endo -74.99 134.01 17.31 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.507 1.793 . . . . 0.0 111.001 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 4.3 p . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.257 -179.954 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.854 0 N-CA-C 110.975 -0.433 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.413 ' CD ' ' HB2' ' A' ' 129' ' ' PRO . 0.1 OUTLIER -144.71 160.77 40.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.36 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.521 HD11 ' HB ' ' A' ' 132' ' ' VAL . 4.1 mt -121.94 141.46 51.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.2 mt -93.68 112.24 24.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.351 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.449 ' CB ' ' O ' ' A' ' 128' ' ' LEU . 36.5 t80 -86.58 148.26 25.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 110.995 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 15' ' ' GLY . 52.4 t -133.1 77.63 1.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 108.3 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 13' ' ' ASN . 10.9 t -38.18 -37.48 0.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.995 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.48 ' ND2' ' HB2' ' A' ' 124' ' ' ALA . 7.4 t30 -38.33 -43.41 0.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -131.98 -41.74 0.19 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.481 1.113 . . . . 0.0 110.995 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 11' ' ' CYS . . . 101.5 55.47 0.9 Allowed Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.571 ' CD2' ' HG2' ' A' ' 30' ' ' ARG . 12.4 m80 -130.56 167.21 19.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 0.0 109.618 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -111.82 141.85 44.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 111.008 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.742 ' CD1' HD21 ' A' ' 106' ' ' LEU . 13.5 tp -79.1 120.47 23.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.911 ' HB3' HG22 ' A' ' 37' ' ' ILE . 4.5 ptm180 -121.53 155.21 35.49 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.156 . . . . 0.0 110.308 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.756 HD11 ' HB2' ' A' ' 60' ' ' LEU . 25.3 mt -123.89 128.07 74.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.487 HD12 ' HB ' ' A' ' 25' ' ' THR . 18.6 mt -97.28 157.5 34.79 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.428 ' HB3' HG21 ' A' ' 56' ' ' THR . 18.3 Cg_endo -74.97 0.76 8.5 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.54 1.811 . . . . 0.0 110.969 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -100.96 10.12 41.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.58 45.55 44.96 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.429 1.081 . . . . 0.0 110.962 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.487 ' HB ' HD12 ' A' ' 21' ' ' LEU . 2.7 m -126.61 147.62 49.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 0.765 . . . . 0.0 110.426 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.7 t -135.25 121.45 32.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -145.37 162.42 37.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -88.89 145.7 18.81 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.484 1.115 . . . . 0.0 110.974 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.571 ' CG2' HG21 ' A' ' 37' ' ' ILE . 3.8 t -148.27 142.65 26.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 0.741 . . . . 0.0 110.378 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.571 ' HG2' ' CD2' ' A' ' 16' ' ' HIS . 3.9 ptt180 -115.82 44.53 1.89 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -134.3 90.28 2.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.7 -38.43 1.43 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.321 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.43 -33.54 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.988 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.706 ' OD2' HG23 ' A' ' 37' ' ' ILE . 44.9 t0 -43.64 133.01 4.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -106.56 56.01 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 110.314 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.709 ' NE2' HG23 ' A' ' 56' ' ' THR . 1.7 t-80 -164.49 -43.5 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.595 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.911 HG22 ' HB3' ' A' ' 19' ' ' ARG . 50.0 pt -41.53 -28.92 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.435 ' N ' ' C ' ' A' ' 36' ' ' HIS . 58.8 mt-30 -62.07 92.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 110.294 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 53' ' ' SER . 72.1 mt -104.61 147.19 27.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.462 ' HB2' ' CG2' ' A' ' 54' ' ' THR . 0.0 OUTLIER -105.53 116.86 32.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 110.243 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.77 136.05 33.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 50' ' ' TYR . 3.6 m -133.82 161.01 35.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 110.008 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -119.13 126.23 51.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 109.337 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.446 ' HG2' ' OG ' ' A' ' 45' ' ' SER . 0.6 OUTLIER -108.38 -45.8 3.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.278 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.446 ' OG ' ' HG2' ' A' ' 44' ' ' GLU . 0.9 OUTLIER -127.64 166.33 18.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.008 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.3 p -60.85 122.91 12.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.8 7.86 76.07 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.521 1.138 . . . . 0.0 111.032 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.743 ' HB3' HD11 ' A' ' 79' ' ' LEU . 14.7 mt-10 -114.82 134.62 54.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 0.774 . . . . 0.0 110.317 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.596 ' O ' HD12 ' A' ' 79' ' ' LEU . 24.9 m -132.11 159.45 43.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.418 ' N ' ' O ' ' A' ' 42' ' ' SER . 1.8 m-85 -127.51 131.79 50.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.962 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.7 mt -115.54 113.54 43.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.452 ' HD3' ' CE1' ' A' ' 59' ' ' TYR . 16.6 ttpt -130.72 151.1 51.53 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.451 ' HA ' HD23 ' A' ' 39' ' ' LEU . 0.6 OUTLIER -82.49 136.24 34.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.019 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.462 ' CG2' ' HB2' ' A' ' 40' ' ' GLN . 45.8 p -97.31 8.42 44.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.406 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.436 ' HB3' ' CE1' ' A' ' 36' ' ' HIS . 23.8 tp10 -101.4 -69.19 0.79 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.133 . . . . 0.0 110.338 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.709 HG23 ' NE2' ' A' ' 36' ' ' HIS . 80.4 p -84.29 -50.15 8.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.369 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 114.5 43.28 0.77 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.449 1.093 . . . . 0.0 110.979 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -116.74 137.76 51.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 0.788 . . . . 0.0 110.268 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.452 ' CE1' ' HD3' ' A' ' 52' ' ' LYS . 97.6 m-85 -84.67 142.3 29.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 111.01 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.756 ' HB2' HD11 ' A' ' 20' ' ' ILE . 1.3 tp -82.73 117.64 22.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.416 ' HB2' ' SG ' ' A' ' 78' ' ' CYS . . . -139.11 152.55 47.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 45.3 ttm -107.98 116.13 31.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 111.029 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.571 ' CG ' ' CE2' ' A' ' 69' ' ' TYR . 1.7 m-20 -69.39 -172.64 0.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 67.4 p -76.84 -20.45 56.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.377 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.429 ' CB ' HD22 ' A' ' 67' ' ' LEU . 61.7 m-20 -67.72 -12.22 60.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.95 -10.11 75.02 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.429 HD22 ' CB ' ' A' ' 65' ' ' ASP . 0.4 OUTLIER -87.19 168.38 13.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 0.777 . . . . 0.0 109.322 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.63 HD11 HG13 ' A' ' 104' ' ' VAL . 2.0 mt -103.22 144.71 30.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.571 ' CE2' ' CG ' ' A' ' 63' ' ' ASP . 4.2 p90 -145.03 156.04 43.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 111.045 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -78.73 111.73 3.31 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.511 1.132 . . . . 0.0 110.978 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.02 117.98 25.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 0.756 . . . . 0.0 109.967 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -54.53 -57.71 10.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.9 p -100.96 157.02 34.45 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.363 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 116.56 4.62 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.462 1.769 . . . . 0.0 110.983 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 -126.78 157.42 39.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -47.77 -28.76 2.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.295 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.47 ' O ' ' CE1' ' A' ' 80' ' ' PHE . 39.8 mt-10 -63.89 -31.37 72.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.339 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.416 ' SG ' ' HB2' ' A' ' 61' ' ' ALA . 57.5 m -73.93 -16.97 61.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 108.321 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.743 HD11 ' HB3' ' A' ' 48' ' ' GLU . 6.7 tp -89.17 124.2 34.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.345 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.535 ' C ' HD13 ' A' ' 81' ' ' LEU . 17.0 m-85 -124.11 165.4 17.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 110.992 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.535 HD13 ' C ' ' A' ' 80' ' ' PHE . 0.4 OUTLIER -103.6 125.74 50.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.82 147.57 31.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.54 165.02 34.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.732 ' O ' HD13 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -92.69 115.11 27.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.628 ' HG3' HG23 ' A' ' 91' ' ' THR . 1.2 mt-10 -104.67 145.21 30.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -52.0 -179.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 62.6 m-20 60.74 15.5 5.9 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.536 1.147 . . . . 0.0 109.271 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER 60.66 60.24 1.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.591 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.736 ' CE1' HD12 ' A' ' 128' ' ' LEU . 14.2 m-85 -141.87 158.29 43.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -122.95 153.03 40.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.333 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.628 HG23 ' HG3' ' A' ' 85' ' ' GLU . 21.0 p -125.86 155.32 41.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.425 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -134.87 132.67 38.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.602 HD11 ' CE2' ' A' ' 103' ' ' PHE . 50.0 mt -130.02 138.12 54.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.2 t -67.75 138.21 56.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.437 1.086 . . . . 0.0 110.025 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.43 ' C ' ' N ' ' A' ' 97' ' ' HIS . 11.5 tttm -63.86 -74.71 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.545 ' HB3' ' CD2' ' A' ' 97' ' ' HIS . 4.9 mttt -40.9 -29.64 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.545 ' CD2' ' HB3' ' A' ' 96' ' ' LYS . 0.3 OUTLIER -122.71 57.74 1.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.62 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -91.52 -43.22 9.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -67.62 -16.56 64.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.328 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.565 ' HD2' ' CZ2' ' A' ' 102' ' ' TRP . 13.1 mttt -78.09 -7.15 56.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 49.31 64.23 1.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.163 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.565 ' CZ2' ' HD2' ' A' ' 100' ' ' LYS . 49.0 m0 -112.55 131.69 55.48 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.602 ' CE2' HD11 ' A' ' 93' ' ' ILE . 86.9 m-85 -116.71 148.16 41.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 110.984 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.63 HG13 HD11 ' A' ' 68' ' ' LEU . 19.8 t -87.03 108.37 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.567 ' HA2' ' CE1' ' A' ' 127' ' ' PHE . . . -146.2 152.1 24.25 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.503 1.127 . . . . 0.0 110.958 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.8 HD23 ' HA ' ' A' ' 112' ' ' CYS . 10.3 mt -118.29 159.6 23.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 0.761 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.99 -177.43 4.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -67.75 -25.46 65.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 17.8 t30 -84.73 9.51 13.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 109.274 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 63.02 41.18 99.93 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.475 1.11 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.442 ' O ' ' HA ' ' A' ' 106' ' ' LEU . 0.7 OUTLIER -115.96 143.8 44.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.433 0.725 . . . . 0.0 109.97 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . 0.8 ' HA ' HD23 ' A' ' 106' ' ' LEU . 6.9 p -65.91 134.47 53.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 108.277 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 114' ' ' ARG . 1.4 ttmm -90.89 129.78 36.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.466 ' CB ' ' HG3' ' A' ' 117' ' ' ARG . 0.0 OUTLIER -38.27 124.91 1.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.306 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.58 ' N ' ' CD ' ' A' ' 116' ' ' PRO . . . -54.4 -46.34 72.91 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.482 1.114 . . . . 0.0 110.964 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.58 ' CD ' ' N ' ' A' ' 115' ' ' GLY . 18.1 Cg_endo -75.02 5.44 3.99 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.528 1.804 . . . . 0.0 110.988 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.466 ' HG3' ' CB ' ' A' ' 114' ' ' ARG . 3.4 mmm180 -116.04 39.8 2.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.274 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 19.3 p -125.48 166.54 16.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 110.422 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.691 ' O ' HD13 ' A' ' 125' ' ' ILE . 0.2 OUTLIER -175.06 177.12 2.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.613 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -86.21 136.15 33.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 0.0 110.962 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 111.44 -11.04 28.41 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -86.48 154.83 20.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.779 . . . . 0.0 110.305 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 5.4 tppt? -93.81 14.1 20.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.48 ' HB2' ' ND2' ' A' ' 13' ' ' ASN . . . -95.73 -52.05 4.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.691 HD13 ' O ' ' A' ' 119' ' ' HIS . 2.7 pt -59.54 -33.72 52.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.342 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 96.3 mt -64.45 100.9 0.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.567 ' CE1' ' HA2' ' A' ' 105' ' ' GLY . 1.1 m-30 -112.72 132.99 54.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.976 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.77 HD23 ' HD2' ' A' ' 129' ' ' PRO . 0.8 OUTLIER -114.1 118.91 41.61 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . 0.77 ' HD2' HD23 ' A' ' 128' ' ' LEU . 18.2 Cg_endo -75.05 114.18 3.96 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.512 1.796 . . . . 0.0 110.991 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 131' ' ' PRO . 80.5 mt -102.67 131.67 22.1 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.334 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 130' ' ' LEU . 18.5 Cg_endo -74.95 148.21 35.21 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.507 1.793 . . . . 0.0 111.033 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.521 ' HB ' HD11 ' A' ' 8' ' ' LEU . 9.8 p . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 109.331 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.823 ' O ' HG12 ' A' ' 132' ' ' VAL . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.855 0 N-CA-C 110.996 -0.425 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.5 ' CG ' ' O ' ' A' ' 130' ' ' LEU . 0.0 OUTLIER -144.7 168.18 20.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.556 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -106.65 147.96 28.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 73.6 mt -92.94 104.33 16.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -86.19 109.01 18.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 15' ' ' GLY . 43.1 t -87.6 79.95 8.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 0.0 108.307 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 11' ' ' CYS . 3.5 p -36.55 -34.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.002 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 11' ' ' CYS . 28.7 t30 -42.61 -53.01 4.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -120.92 -35.93 0.8 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.47 1.106 . . . . 0.0 111.014 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 11' ' ' CYS . . . 95.49 78.52 1.42 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.452 ' ND1' ' C ' ' A' ' 15' ' ' GLY . 52.4 m80 -155.81 168.79 26.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.75 . . . . 0.0 109.609 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.556 ' CD1' ' HB3' ' A' ' 8' ' ' LEU . 18.0 m-85 -111.43 143.79 41.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.759 HD12 HD21 ' A' ' 106' ' ' LEU . 10.5 tp -76.83 116.07 17.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.788 ' HB2' HG22 ' A' ' 37' ' ' ILE . 25.3 ttp180 -109.3 144.21 37.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.329 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.488 HG22 ' NE2' ' A' ' 58' ' ' GLN . 11.5 mt -124.81 104.38 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.505 HD12 ' HB ' ' A' ' 25' ' ' THR . 18.6 mt -76.92 157.03 82.14 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -1.78 11.68 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.505 1.792 . . . . 0.0 111.0 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.93 7.8 44.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.94 37.7 37.83 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.542 1.152 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.505 ' HB ' HD12 ' A' ' 21' ' ' LEU . 3.5 m -117.01 146.36 43.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 0.789 . . . . 0.0 110.359 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 19' ' ' ARG . 2.7 t -135.13 115.21 18.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -148.25 160.82 42.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -78.07 151.07 36.47 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.529 1.143 . . . . 0.0 111.004 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.696 ' CG2' HG21 ' A' ' 37' ' ' ILE . 7.0 t -156.94 116.04 3.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 0.77 . . . . 0.0 110.409 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.9 ttt-85 -92.81 50.12 1.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -132.55 92.85 3.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.22 -22.53 6.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.133 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.18 -30.82 62.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.005 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.452 ' OD2' ' NH1' ' A' ' 19' ' ' ARG . 0.4 OUTLIER -65.85 128.44 36.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -98.12 9.67 42.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.427 1.08 . . . . 0.0 110.321 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.562 ' CD2' ' HG2' ' A' ' 55' ' ' GLU . 5.9 m80 -96.66 -29.81 13.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.573 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.788 HG22 ' HB2' ' A' ' 19' ' ' ARG . 17.6 pt -64.8 -21.49 29.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.423 ' HG2' HG11 ' A' ' 132' ' ' VAL . 11.4 mt-30 -60.66 81.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.596 HD13 HG22 ' A' ' 51' ' ' ILE . 17.2 mt -86.87 146.99 25.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.345 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.471 ' HB2' ' CG2' ' A' ' 54' ' ' THR . 0.0 OUTLIER -105.63 115.88 30.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 110.342 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.44 136.45 33.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.9 m -136.25 155.85 49.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.979 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -119.91 128.71 53.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.447 ' CD ' ' N ' ' A' ' 44' ' ' GLU . 3.2 mm-40 -109.05 -54.34 2.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 110.319 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -129.3 165.8 20.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 110.01 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 77.2 t -61.98 115.13 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.412 ' O ' ' HA ' ' A' ' 81' ' ' LEU . . . 88.47 16.22 59.05 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.547 1.154 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.482 ' OE1' HD21 ' A' ' 79' ' ' LEU . 15.8 mt-10 -128.56 136.86 51.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 0.738 . . . . 0.0 110.284 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.558 ' O ' HD12 ' A' ' 79' ' ' LEU . 10.3 m -145.01 150.92 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.576 ' CE1' ' HB2' ' A' ' 79' ' ' LEU . 1.6 m-85 -117.3 144.49 44.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.596 HG22 HD13 ' A' ' 39' ' ' LEU . 6.5 mt -126.2 107.93 18.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.55 ' HG3' ' CD1' ' A' ' 59' ' ' TYR . 17.6 tttt -129.33 146.72 51.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.47 ' HA ' HD23 ' A' ' 39' ' ' LEU . 0.4 OUTLIER -80.77 137.39 36.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.026 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.471 ' CG2' ' HB2' ' A' ' 40' ' ' GLN . 63.8 p -90.82 -10.89 41.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.419 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.562 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 3.3 tp10 -86.3 -76.28 0.35 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.088 . . . . 0.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 28.7 p -68.33 -53.28 25.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.43 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 108.82 45.3 1.05 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.49 1.119 . . . . 0.0 110.979 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.488 ' NE2' HG22 ' A' ' 20' ' ' ILE . 5.3 mt-30 -119.76 153.94 34.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 0.791 . . . . 0.0 110.289 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.55 ' CD1' ' HG3' ' A' ' 52' ' ' LYS . 58.9 m-85 -99.05 135.97 39.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 111.007 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.0 tp -76.96 119.97 21.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.587 ' HB2' ' SG ' ' A' ' 78' ' ' CYS . . . -140.31 151.36 44.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 31.6 ttm -106.38 116.14 31.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.06 -165.57 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 12.6 p -86.01 -7.52 58.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.418 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.461 ' HB3' ' CD1' ' A' ' 67' ' ' LEU . 0.8 OUTLIER -84.62 -6.02 59.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.284 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.442 ' HA3' ' CD ' ' A' ' 116' ' ' PRO . . . 82.29 1.78 90.47 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' A' ' 65' ' ' ASP . 4.4 mp -91.39 168.02 11.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 0.756 . . . . 0.0 109.347 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.905 HD11 HG13 ' A' ' 104' ' ' VAL . 9.4 mt -106.96 132.45 52.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.565 ' CD1' ' C ' ' A' ' 69' ' ' TYR . 2.2 p90 -142.85 150.98 40.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 111.033 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -82.69 124.9 6.7 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.506 1.129 . . . . 0.0 110.96 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.6 t -91.24 140.16 30.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 0.777 . . . . 0.0 109.958 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -63.2 -38.2 90.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.262 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.3 p -122.87 160.48 49.0 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.415 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 114.71 4.09 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.497 1.788 . . . . 0.0 111.024 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -125.66 157.36 37.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.432 1.083 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -49.39 -32.45 11.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.414 ' CG ' ' HD2' ' A' ' 96' ' ' LYS . 41.5 mt-10 -62.97 -22.02 66.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.587 ' SG ' ' HB2' ' A' ' 61' ' ' ALA . 66.6 m -83.23 -22.57 33.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.418 1.074 . . . . 0.0 108.288 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.576 ' HB2' ' CE1' ' A' ' 50' ' ' TYR . 49.1 tp -85.79 127.01 34.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.445 ' C ' HD13 ' A' ' 81' ' ' LEU . 5.8 m-85 -120.68 166.1 14.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.732 HD21 ' HA ' ' A' ' 95' ' ' LYS . 0.5 OUTLIER -102.74 122.91 45.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.433 ' HG2' ' N ' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -109.0 146.48 33.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 110.308 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.433 ' N ' ' HG2' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -151.74 149.79 29.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.258 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -92.06 107.34 19.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.925 ' OE2' HD22 ' A' ' 126' ' ' LEU . 2.6 pp20? -109.16 159.72 16.67 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' A' ' 85' ' ' GLU . 21.0 mt-10 -50.56 -178.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.288 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.424 HD22 HD13 ' A' ' 126' ' ' LEU . 1.0 OUTLIER 73.81 3.4 4.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.256 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 5.3 t60 58.57 52.47 6.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.599 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.518 ' CE1' HD22 ' A' ' 128' ' ' LEU . 3.6 m-85 -144.74 161.26 39.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.99 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -115.93 153.76 31.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.536 HG22 ' O ' ' A' ' 125' ' ' ILE . 0.9 OUTLIER -125.27 158.94 32.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.429 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -139.57 132.84 29.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.969 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.653 HD11 ' CE1' ' A' ' 103' ' ' PHE . 39.3 mt -135.8 138.28 47.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.3 t -59.08 143.34 48.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.037 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.732 ' HA ' HD21 ' A' ' 81' ' ' LEU . 1.4 tttm -78.89 -56.16 4.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.414 ' HD2' ' CG ' ' A' ' 77' ' ' GLU . 0.9 OUTLIER -43.54 -27.43 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.668 ' CE1' ' CZ3' ' A' ' 102' ' ' TRP . 30.8 m-70 -103.58 -93.13 0.34 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.587 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 97' ' ' HIS . . . 69.17 -62.68 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 97' ' ' HIS . 7.7 mt-10 -62.85 -13.15 30.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.334 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.551 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 8.5 mttm -90.23 -3.05 58.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 43.86 64.95 1.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.668 ' CZ3' ' CE1' ' A' ' 97' ' ' HIS . 45.3 m0 -111.9 131.63 55.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 108.042 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.653 ' CE1' HD11 ' A' ' 93' ' ' ILE . 94.9 m-85 -114.08 148.88 36.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 0.0 111.014 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.905 HG13 HD11 ' A' ' 68' ' ' LEU . 77.6 t -72.45 -91.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.446 ' N ' HG12 ' A' ' 104' ' ' VAL . . . 50.02 175.28 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.447 1.092 . . . . 0.0 111.007 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.987 HD23 ' HA ' ' A' ' 112' ' ' CYS . 6.4 mt -138.32 131.61 30.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.772 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 111' ' ' SER . 2.3 mtmp? -52.93 -174.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.66 -9.23 52.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -88.99 15.05 9.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 67.36 25.69 73.63 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.472 ' O ' ' N ' ' A' ' 107' ' ' LYS . 0.6 OUTLIER -119.46 166.81 12.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 0.0 110.021 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . 0.987 ' HA ' HD23 ' A' ' 106' ' ' LEU . 19.5 p -74.2 135.35 42.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 108.308 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.755 ' HD3' HG22 ' A' ' 118' ' ' THR . 1.6 ttmp? -90.25 117.16 28.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 113' ' ' LYS . 2.2 mpp_? -36.77 149.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.312 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.524 ' N ' ' CD ' ' A' ' 116' ' ' PRO . . . -70.13 -49.71 32.14 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.496 1.123 . . . . 0.0 110.946 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 115' ' ' GLY . 18.1 Cg_endo -75.05 4.32 4.87 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.57 1.826 . . . . 0.0 110.948 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 4.1 mmt-85 -112.78 23.48 13.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.313 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.755 HG22 ' HD3' ' A' ' 113' ' ' LYS . 1.7 p -131.07 152.78 50.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.404 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -151.91 -169.84 3.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.649 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -91.13 123.07 34.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 127.51 -6.92 7.06 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.522 1.139 . . . . 0.0 111.024 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -91.1 157.62 17.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 0.74 . . . . 0.0 110.341 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.409 ' HG2' ' N ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -95.95 13.54 26.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -91.4 -55.62 3.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.584 HG22 ' CB ' ' A' ' 103' ' ' PHE . 3.6 pt -48.81 -31.37 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.925 HD22 ' OE2' ' A' ' 85' ' ' GLU . 14.1 mt -73.04 131.02 41.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -138.93 150.71 46.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.518 HD22 ' CE1' ' A' ' 89' ' ' TYR . 5.9 tp -133.71 115.25 13.38 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . 0.44 ' HA ' ' O ' ' A' ' 8' ' ' LEU . 18.3 Cg_endo -74.98 124.56 8.73 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.438 1.757 . . . . 0.0 111.003 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.5 ' O ' ' CG ' ' A' ' 7' ' ' LYS . 4.0 mm? -99.12 142.51 24.74 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 116.65 4.64 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.476 1.777 . . . . 0.0 110.965 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.823 HG12 ' O ' ' A' ' 6' ' ' PRO . 2.5 p . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.46 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.912 0 N-CA-C 111.032 -0.411 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.426 ' C ' HD13 ' A' ' 8' ' ' LEU . 0.5 OUTLIER -144.97 158.43 43.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.29 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.656 HD21 ' HB ' ' A' ' 132' ' ' VAL . 0.2 OUTLIER -103.17 143.85 32.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.558 ' HB3' ' CD2' ' A' ' 127' ' ' PHE . 2.1 mp -91.5 104.44 16.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.474 ' HB2' ' CD2' ' A' ' 130' ' ' LEU . 20.8 t80 -74.62 151.73 39.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.975 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 12' ' ' SER . 39.3 t -135.51 70.13 1.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 108.31 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.46 ' C ' ' O ' ' A' ' 11' ' ' CYS . 17.2 t -34.81 -36.5 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.985 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.497 ' O ' ' CG ' ' A' ' 108' ' ' LYS . 29.4 t30 -41.8 -48.24 4.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.135 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 11' ' ' CYS . . . -125.77 -38.3 0.48 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.515 1.134 . . . . 0.0 111.017 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.549 ' O ' ' CG ' ' A' ' 16' ' ' HIS . . . 97.04 79.14 1.45 Allowed Glycine 0 CA--C 1.529 0.931 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.549 ' CG ' ' O ' ' A' ' 15' ' ' GLY . 66.2 m80 -162.7 153.64 17.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 0.749 . . . . 0.0 109.628 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.504 ' CG ' ' HB3' ' A' ' 8' ' ' LEU . 23.2 m-30 -101.15 142.54 32.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.147 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.891 ' CD1' HD21 ' A' ' 106' ' ' LEU . 12.3 tp -78.71 114.79 17.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.696 ' HB3' HG22 ' A' ' 37' ' ' ILE . 1.7 ptp180 -112.83 154.26 26.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.324 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.59 HD11 ' HB2' ' A' ' 60' ' ' LEU . 47.2 mt -124.43 117.04 49.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.488 HD21 ' HD2' ' A' ' 19' ' ' ARG . 22.4 mt -89.48 157.42 47.17 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 0.26 9.13 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.538 1.809 . . . . 0.0 111.008 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.37 11.46 39.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 70.27 47.45 44.11 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.452 1.095 . . . . 0.0 110.972 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.469 ' CG2' HD12 ' A' ' 21' ' ' LEU . 1.2 m -125.78 142.54 51.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 0.0 110.4 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.4 t -135.38 115.92 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.66 162.15 40.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -80.22 150.32 31.82 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.548 1.155 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.478 ' CG2' HG21 ' A' ' 37' ' ' ILE . 2.6 t -160.8 136.12 7.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 0.784 . . . . 0.0 110.343 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.15 41.14 3.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 110.269 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 33' ' ' SER . 24.6 t0 -93.44 -6.26 47.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.35 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 31' ' ' ASP . 13.0 mtm180 36.8 32.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 31' ' ' ASP . 0.3 OUTLIER -129.24 -44.12 1.28 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.961 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.24 123.64 3.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -82.79 53.38 2.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 110.287 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.439 ' C ' ' N ' ' A' ' 38' ' ' GLN . 38.3 m80 -145.65 -46.9 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.618 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.696 HG22 ' HB3' ' A' ' 19' ' ' ARG . 33.3 pt -41.63 -28.56 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.338 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.439 ' N ' ' C ' ' A' ' 36' ' ' HIS . 82.4 mt-30 -59.1 82.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.285 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.46 ' O ' ' HA ' ' A' ' 6' ' ' PRO . 18.2 mt -95.39 146.33 24.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -106.85 114.65 28.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 110.258 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -88.45 136.06 33.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.71 161.07 36.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.984 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -123.42 126.16 46.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.567 1.167 . . . . 0.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.433 ' HG2' ' OG ' ' A' ' 45' ' ' SER . 0.4 OUTLIER -110.38 -42.98 3.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 0.0 110.287 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.433 ' OG ' ' HG2' ' A' ' 44' ' ' GLU . 0.9 OUTLIER -128.54 165.9 19.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.057 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 11.0 p -66.14 119.14 10.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.63 2.15 89.98 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.459 1.1 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.621 ' HB3' HD11 ' A' ' 79' ' ' LEU . 32.9 mt-10 -114.29 138.42 50.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 0.758 . . . . 0.0 110.314 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.453 ' O ' HD12 ' A' ' 79' ' ' LEU . 34.0 m -134.81 155.65 38.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.762 ' CE2' HD13 ' A' ' 79' ' ' LEU . 4.8 m-85 -125.8 131.62 52.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.405 HG22 HD13 ' A' ' 39' ' ' LEU . 2.2 mt -114.69 119.56 61.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.402 ' HE3' ' CE1' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -135.57 144.88 46.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.411 ' HA ' HD23 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -80.4 135.23 36.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.009 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.1 p -90.49 -13.69 34.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.398 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -80.36 -69.54 0.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.27 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 56.0 p -79.35 -62.01 1.83 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.398 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 120.3 47.7 0.33 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.423 1.077 . . . . 0.0 111.03 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.422 ' NE2' HG22 ' A' ' 20' ' ' ILE . 5.6 mt-30 -122.93 137.83 54.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 0.783 . . . . 0.0 110.279 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.402 ' CE1' ' HE3' ' A' ' 52' ' ' LYS . 90.8 m-85 -84.5 139.8 31.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.59 ' HB2' HD11 ' A' ' 20' ' ' ILE . 8.8 tp -77.32 118.77 20.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.487 ' HB2' ' SG ' ' A' ' 78' ' ' CYS . . . -140.55 155.49 46.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 40.3 ttm -113.2 116.11 29.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.22 -164.62 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 69.8 p -85.73 -20.5 29.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.409 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.597 ' CB ' HD12 ' A' ' 67' ' ' LEU . 6.1 m-20 -69.9 -8.56 49.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 84.55 -0.95 89.2 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.489 1.118 . . . . 0.0 110.963 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.597 HD12 ' CB ' ' A' ' 65' ' ' ASP . 4.1 mp -87.66 173.51 8.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 0.776 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.444 HD21 HG22 ' A' ' 104' ' ' VAL . 10.0 mt -110.93 137.67 48.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.56 ' CD1' ' C ' ' A' ' 69' ' ' TYR . 2.1 p90 -149.29 163.13 38.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -94.12 123.91 7.67 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.554 1.159 . . . . 0.0 111.025 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 10.4 t -86.21 140.11 30.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 0.774 . . . . 0.0 109.989 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.26 -40.0 80.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.266 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.1 p -126.65 164.5 34.19 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.419 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 103.5 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.557 1.819 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -113.46 157.74 21.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.69 -24.24 2.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.303 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -67.33 -16.08 64.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 110.304 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.487 ' SG ' ' HB2' ' A' ' 61' ' ' ALA . 73.8 m -89.62 -14.27 35.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 108.305 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.762 HD13 ' CE2' ' A' ' 50' ' ' TYR . 3.7 tp -86.7 126.71 34.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.441 ' C ' HD13 ' A' ' 81' ' ' LEU . 12.3 m-85 -126.8 165.55 19.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.424 1.078 . . . . 0.0 111.021 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.47 ' CD1' ' HG2' ' A' ' 48' ' ' GLU . 0.7 OUTLIER -103.4 124.25 48.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.441 ' OE2' ' N ' ' A' ' 83' ' ' ARG . 2.8 tm-20 -108.7 150.27 27.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.293 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.441 ' N ' ' OE2' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -153.95 150.0 27.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.522 HD23 ' O ' ' A' ' 85' ' ' GLU . 5.1 tt -91.9 128.15 37.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.522 ' O ' HD23 ' A' ' 84' ' ' LEU . 36.0 mm-40 -97.79 158.36 15.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -82.27 50.58 1.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 110.285 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -159.95 27.45 0.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 22.5 t-160 52.42 48.61 22.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.549 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.503 ' CG ' ' HB3' ' A' ' 126' ' ' LEU . 2.2 m-85 -144.28 143.15 30.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -111.22 150.77 29.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.248 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.512 HG22 ' O ' ' A' ' 125' ' ' ILE . 34.4 p -127.44 164.64 21.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.405 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -144.82 133.38 22.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 111.015 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.537 HD11 ' CE2' ' A' ' 103' ' ' PHE . 59.9 mt -132.2 133.73 60.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.7 t -59.54 140.03 56.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.008 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.88 -68.48 0.38 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.551 ' HB3' ' CD2' ' A' ' 97' ' ' HIS . 0.0 OUTLIER -47.06 -28.95 1.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.553 ' CD2' ' N ' ' A' ' 97' ' ' HIS . 0.2 OUTLIER -121.99 53.61 1.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.563 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -92.93 -35.86 13.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.54 -10.29 59.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.273 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.506 ' HD2' ' CZ2' ' A' ' 102' ' ' TRP . 30.6 mttt -90.06 -5.34 56.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 51.77 64.68 1.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.506 ' CZ2' ' HD2' ' A' ' 100' ' ' LYS . 46.2 m0 -112.28 131.58 55.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 108.021 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.578 ' CD2' ' HB ' ' A' ' 125' ' ' ILE . 70.0 m-85 -114.13 148.84 36.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.484 ' O ' ' C ' ' A' ' 105' ' ' GLY . 37.9 t -72.59 -20.59 19.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.57 ' HA2' ' CE1' ' A' ' 127' ' ' PHE . . . -30.61 145.61 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.891 HD21 ' CD1' ' A' ' 18' ' ' LEU . 1.2 mt -107.02 160.34 15.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 0.765 . . . . 0.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 111' ' ' SER . 7.8 mmmt -63.96 -157.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.497 ' CG ' ' O ' ' A' ' 13' ' ' ASN . 0.6 OUTLIER -117.74 -6.26 11.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 14.8 m-20 -96.31 13.41 27.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 77.18 40.51 24.24 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.499 1.125 . . . . 0.0 111.03 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 107' ' ' LYS . 0.6 OUTLIER -137.83 162.62 33.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 0.778 . . . . 0.0 109.989 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . 0.755 ' HA ' HD23 ' A' ' 106' ' ' LEU . 26.1 p -78.09 135.05 37.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 108.296 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.632 ' HD3' HG22 ' A' ' 118' ' ' THR . 0.4 OUTLIER -90.94 119.03 30.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -38.44 137.93 0.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.33 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.477 ' C ' ' H ' ' A' ' 117' ' ' ARG . . . -52.75 -56.32 18.82 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.495 1.122 . . . . 0.0 111.033 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.416 ' O ' ' HG2' ' A' ' 117' ' ' ARG . 18.1 Cg_endo -75.0 38.13 0.51 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.496 1.787 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.477 ' H ' ' C ' ' A' ' 115' ' ' GLY . 5.1 mtm180 -144.65 18.01 1.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.297 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.632 HG22 ' HD3' ' A' ' 113' ' ' LYS . 3.1 p -117.04 161.35 19.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.371 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.548 ' O ' HD13 ' A' ' 125' ' ' ILE . 2.5 m-70 -166.07 -170.97 1.86 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.617 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -92.49 136.88 32.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 111.023 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 113.46 -5.26 24.8 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -97.81 152.06 19.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 0.772 . . . . 0.0 110.292 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.796 ' HD3' HD12 ' A' ' 126' ' ' LEU . 8.2 tppt? -90.16 5.29 47.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.254 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.4 ' HB2' ' ND2' ' A' ' 13' ' ' ASN . . . -83.86 -44.37 14.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.578 ' HB ' ' CD2' ' A' ' 103' ' ' PHE . 4.0 pt -64.21 -35.99 75.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.796 HD12 ' HD3' ' A' ' 123' ' ' LYS . 73.8 mt -66.19 107.14 1.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.57 ' CE1' ' HA2' ' A' ' 105' ' ' GLY . 1.6 m-30 -118.64 130.54 55.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 111.002 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.825 HD23 ' HD2' ' A' ' 129' ' ' PRO . 0.7 OUTLIER -114.07 118.75 41.9 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . 0.825 ' HD2' HD23 ' A' ' 128' ' ' LEU . 18.2 Cg_endo -74.96 120.89 6.27 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.55 1.816 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.501 ' CD2' ' O ' ' A' ' 128' ' ' LEU . 3.8 mm? -101.91 142.77 25.26 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 130' ' ' LEU . 18.2 Cg_endo -75.07 139.52 24.21 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.48 1.779 . . . . 0.0 110.988 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.656 ' HB ' HD21 ' A' ' 8' ' ' LEU . 1.4 p . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.405 ' O ' HG12 ' A' ' 132' ' ' VAL . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.887 0 N-CA-C 111.046 -0.406 . . . . 0.0 111.046 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.36 161.38 39.77 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.468 ' O ' ' HA ' ' A' ' 129' ' ' PRO . 0.7 OUTLIER -120.59 137.06 54.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.696 HD21 HD11 ' A' ' 41' ' ' LEU . 3.5 mm? -91.14 110.32 21.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.478 ' CZ ' ' HA ' ' A' ' 12' ' ' SER . 12.7 t80 -85.14 127.3 34.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.991 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 13' ' ' ASN . 16.8 t -109.43 74.03 0.88 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 108.328 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.478 ' HA ' ' CZ ' ' A' ' 10' ' ' TYR . 45.9 t -38.11 -31.12 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.105 . . . . 0.0 110.021 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 11' ' ' CYS . 54.9 t30 -40.71 -65.87 0.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.142 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -115.1 -18.81 6.15 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.534 1.146 . . . . 0.0 110.982 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 84.66 70.75 1.33 Allowed Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 43.6 m80 -148.61 152.69 37.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 0.753 . . . . 0.0 109.578 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.427 ' HE1' HD12 ' A' ' 130' ' ' LEU . 19.2 m-85 -100.55 141.96 32.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 111.02 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 1.039 HD12 HD21 ' A' ' 106' ' ' LEU . 10.0 tp -78.48 118.23 20.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.887 ' HB3' HG22 ' A' ' 37' ' ' ILE . 3.3 ptm180 -120.43 153.94 35.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.559 HD11 ' HB2' ' A' ' 60' ' ' LEU . 34.6 mt -124.63 112.96 34.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.337 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.55 HD12 ' HB ' ' A' ' 25' ' ' THR . 26.9 mt -78.33 157.65 77.64 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.495 ' HB3' HG22 ' A' ' 56' ' ' THR . 18.3 Cg_endo -75.04 -8.47 20.05 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.531 1.806 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -90.53 8.17 35.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.86 43.04 29.04 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.517 1.136 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.55 ' HB ' HD12 ' A' ' 21' ' ' LEU . 4.8 m -123.0 147.71 46.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 0.771 . . . . 0.0 110.405 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.5 t -131.2 118.32 40.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.11 . . . . 0.0 109.328 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -147.6 160.39 42.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.94 155.41 33.16 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.451 1.094 . . . . 0.0 111.003 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.673 ' CG2' HG21 ' A' ' 37' ' ' ILE . 1.5 t -161.04 143.98 12.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.768 . . . . 0.0 110.374 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 21.0 ptt-85 -125.13 13.06 8.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.302 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.516 ' O ' ' N ' ' A' ' 33' ' ' SER . 2.0 t0 -68.82 -21.45 64.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.461 ' O ' ' N ' ' A' ' 34' ' ' ASP . 5.3 mtm180 66.22 -61.2 0.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.576 1.173 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.516 ' N ' ' O ' ' A' ' 31' ' ' ASP . 0.3 OUTLIER -38.5 -30.13 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.013 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 32' ' ' ARG . 0.2 OUTLIER -43.03 120.02 1.68 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.325 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -92.92 41.18 1.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.241 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.468 ' ND1' ' N ' ' A' ' 36' ' ' HIS . 0.0 OUTLIER -140.04 -46.73 0.44 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.611 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.887 HG22 ' HB3' ' A' ' 19' ' ' ARG . 26.8 pt -39.46 -32.78 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.412 ' N ' ' C ' ' A' ' 36' ' ' HIS . 74.8 mt-30 -54.49 88.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.272 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 37' ' ' ILE . 51.3 mt -98.87 146.98 25.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.569 ' HG3' HG21 ' A' ' 54' ' ' THR . 0.0 OUTLIER -106.15 117.5 34.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.316 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.696 HD11 HD21 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -90.49 136.15 33.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.419 ' O ' ' HA ' ' A' ' 49' ' ' VAL . 4.0 m -135.41 160.69 37.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.928 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -123.63 126.55 46.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -109.97 -46.44 3.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.242 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.58 165.45 18.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.137 . . . . 0.0 110.026 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.9 p -63.64 121.75 13.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.57 6.53 88.96 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.452 1.095 . . . . 0.0 111.026 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.677 ' HB3' HD11 ' A' ' 79' ' ' LEU . 13.6 mt-10 -116.0 142.91 46.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 0.765 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.419 ' HA ' ' O ' ' A' ' 42' ' ' SER . 25.6 m -141.31 155.06 20.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -123.89 134.27 53.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.3 mt -116.39 115.51 49.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.355 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.25 148.16 52.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.4 m -79.78 137.13 36.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.976 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.569 HG21 ' HG3' ' A' ' 40' ' ' GLN . 72.6 p -94.05 -3.31 51.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 110.374 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -103.82 -66.85 0.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.319 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.495 HG22 ' HB3' ' A' ' 22' ' ' PRO . 4.1 p -68.34 -64.53 0.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.397 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 114.66 50.71 0.48 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -134.4 141.0 46.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 0.742 . . . . 0.0 110.337 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -84.58 139.58 32.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 110.978 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.559 ' HB2' HD11 ' A' ' 20' ' ' ILE . 6.9 tp -77.25 118.33 19.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.443 ' HB2' ' SG ' ' A' ' 78' ' ' CYS . . . -139.44 150.44 45.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 34.8 ttm -104.68 119.8 39.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.37 173.43 9.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.14 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 77.3 p -68.24 -19.46 64.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.372 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.529 ' HB3' HD13 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -71.89 -6.73 43.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.424 ' O ' ' HA ' ' A' ' 114' ' ' ARG . . . 83.26 7.42 86.75 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.529 HD13 ' HB3' ' A' ' 65' ' ' ASP . 5.3 mp -99.82 167.21 10.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 0.741 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.764 HD11 HG13 ' A' ' 104' ' ' VAL . 21.6 mt -104.69 142.2 35.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.569 ' CD1' ' C ' ' A' ' 69' ' ' TYR . 1.6 p90 -153.15 150.35 28.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 111.03 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -81.78 123.29 6.0 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.453 1.095 . . . . 0.0 111.003 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.7 t -88.56 140.16 29.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 0.753 . . . . 0.0 109.998 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -63.86 -37.61 88.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 110.283 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.2 p -124.2 160.8 50.76 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.386 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 109.42 2.93 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.487 1.782 . . . . 0.0 111.027 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -120.24 157.12 29.79 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.454 1.096 . . . . 0.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.99 -29.81 3.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.095 . . . . 0.0 110.302 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -60.88 -26.6 67.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.443 ' SG ' ' HB2' ' A' ' 61' ' ' ALA . 39.7 m -81.23 -15.48 55.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 108.238 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.677 HD11 ' HB3' ' A' ' 48' ' ' GLU . 2.9 tp -86.51 118.82 26.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -117.71 165.03 14.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 111.02 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.774 HD22 ' O ' ' A' ' 93' ' ' ILE . 0.4 OUTLIER -103.71 124.99 49.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.08 142.52 39.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -146.77 166.41 26.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -92.73 110.75 22.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.779 ' CD ' HG21 ' A' ' 91' ' ' THR . 15.1 mt-10 -107.45 144.12 34.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.276 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.507 ' O ' ' CB ' ' A' ' 87' ' ' ASN . 30.9 mt-10 -47.01 172.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.269 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.507 ' CB ' ' O ' ' A' ' 86' ' ' GLU . 14.9 t-20 82.53 -0.33 1.33 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 1.1 t60 70.47 39.91 1.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.592 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.733 ' HA ' HD23 ' A' ' 128' ' ' LEU . 9.3 m-85 -131.95 167.87 18.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -113.51 173.48 6.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.779 HG21 ' CD ' ' A' ' 85' ' ' GLU . 2.7 p -140.05 166.72 23.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.388 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.595 ' CD1' ' O ' ' A' ' 91' ' ' THR . 25.1 m-85 -147.2 133.12 19.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.774 ' O ' HD22 ' A' ' 81' ' ' LEU . 54.5 mt -136.93 135.64 48.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.463 ' O ' ' HB2' ' A' ' 98' ' ' ALA . 0.4 OUTLIER -63.85 138.76 58.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.985 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.671 ' HG3' HD11 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -65.09 -67.97 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.521 ' HB3' ' CD2' ' A' ' 97' ' ' HIS . 10.7 tttt -50.53 -29.67 11.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.552 ' CD2' ' N ' ' A' ' 97' ' ' HIS . 0.2 OUTLIER -120.58 59.3 0.91 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.448 1.092 . . . . 0.0 109.582 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.463 ' HB2' ' O ' ' A' ' 94' ' ' SER . . . -102.03 -51.47 3.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.253 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -55.09 -22.54 16.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 110.286 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.522 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 2.4 mtpt -78.18 0.01 26.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 44.91 64.7 1.29 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.522 ' CD1' ' O ' ' A' ' 100' ' ' LYS . 46.8 m0 -111.87 131.81 55.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 107.995 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.674 ' CE1' HD11 ' A' ' 93' ' ' ILE . 98.1 m-85 -114.27 144.45 43.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.764 HG13 HD11 ' A' ' 68' ' ' LEU . 67.7 t -62.5 -84.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 104' ' ' VAL . . . 51.1 173.04 0.01 OUTLIER Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.517 1.135 . . . . 0.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 1.039 HD21 HD12 ' A' ' 18' ' ' LEU . 8.9 mt -138.6 132.42 31.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 0.788 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 111' ' ' SER . 15.9 mttt -54.64 -170.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 22.1 mtmt -97.09 -8.57 29.94 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -89.98 13.38 14.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.342 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 69.61 39.8 78.05 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.483 1.115 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 107' ' ' LYS . 0.6 OUTLIER -136.44 165.29 26.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 0.782 . . . . 0.0 110.003 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . 0.971 ' HA ' HD23 ' A' ' 106' ' ' LEU . 29.8 p -71.17 135.55 47.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 108.331 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.48 ' HD3' HG22 ' A' ' 118' ' ' THR . 4.0 tttp -89.89 124.36 34.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.477 ' O ' HG23 ' A' ' 118' ' ' THR . 0.0 OUTLIER -36.13 152.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.521 ' N ' ' CD ' ' A' ' 116' ' ' PRO . . . -74.9 -49.74 9.7 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.455 1.097 . . . . 0.0 111.039 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.521 ' CD ' ' N ' ' A' ' 115' ' ' GLY . 18.2 Cg_endo -75.03 5.06 4.22 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.563 1.823 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.443 ' HG3' ' CB ' ' A' ' 114' ' ' ARG . 8.2 mmt180 -115.46 39.76 2.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.288 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.555 HG21 ' O ' ' A' ' 103' ' ' PHE . 16.6 p -125.46 168.47 13.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.412 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -147.52 158.43 43.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.603 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -90.47 114.44 26.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 111.049 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 125.3 -0.38 8.14 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.509 1.131 . . . . 0.0 111.011 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -86.57 154.66 20.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 0.782 . . . . 0.0 110.325 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.884 ' HA ' HD12 ' A' ' 126' ' ' LEU . 2.7 ttmp? -80.61 -4.97 56.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.52 -64.06 1.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.595 1.185 . . . . 0.0 109.285 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.5 HG22 ' CB ' ' A' ' 103' ' ' PHE . 6.9 pt -45.31 -26.74 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.24 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.884 HD12 ' HA ' ' A' ' 123' ' ' LYS . 48.6 mt -70.86 128.16 35.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -133.75 142.91 48.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.733 HD23 ' HA ' ' A' ' 89' ' ' TYR . 0.1 OUTLIER -132.81 115.93 14.58 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . 0.468 ' HA ' ' O ' ' A' ' 8' ' ' LEU . 18.2 Cg_endo -75.02 117.45 4.91 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.464 1.771 . . . . 0.0 111.022 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.427 HD12 ' HE1' ' A' ' 17' ' ' PHE . 58.1 mt -89.64 141.87 28.89 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 119.48 5.66 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.558 1.82 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.435 ' CG2' HD11 ' A' ' 8' ' ' LEU . 1.2 p . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.405 ' HA ' ' HA ' ' A' ' 40' ' ' GLN . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.892 0 N-CA-C 111.013 -0.418 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -143.96 156.83 44.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.658 HD11 ' CG2' ' A' ' 132' ' ' VAL . 1.8 mt -108.84 141.12 41.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.62 HD11 HD13 ' A' ' 51' ' ' ILE . 28.9 mt -91.46 115.96 28.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.553 ' HB2' HD23 ' A' ' 130' ' ' LEU . 61.6 t80 -102.15 120.97 41.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.563 1.164 . . . . 0.0 111.005 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 13' ' ' ASN . 7.2 t -88.48 77.68 8.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 108.3 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.49 ' OG ' ' CG ' ' A' ' 123' ' ' LYS . 80.5 p -37.97 -30.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.957 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 11' ' ' CYS . 34.6 t30 -47.02 -47.98 22.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -123.79 -38.3 0.54 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.479 1.112 . . . . 0.0 111.042 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 11' ' ' CYS . . . 98.98 76.37 1.25 Allowed Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 70.2 m80 -151.34 156.96 41.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 0.0 109.625 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -103.25 143.28 32.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.977 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.531 ' CD1' HD21 ' A' ' 106' ' ' LEU . 15.9 tp -77.44 114.57 16.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.659 ' HB2' HG22 ' A' ' 37' ' ' ILE . 17.8 ttp180 -109.25 141.95 40.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 110.249 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 8.8 mt -123.67 115.65 45.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.484 HD12 ' HB ' ' A' ' 25' ' ' THR . 20.3 mt -90.34 157.51 44.79 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -8.55 20.2 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.546 1.814 . . . . 0.0 110.983 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.66 7.5 33.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.43 40.64 32.46 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.498 1.124 . . . . 0.0 111.02 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.484 ' HB ' HD12 ' A' ' 21' ' ' LEU . 3.5 m -121.82 142.93 49.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 0.751 . . . . 0.0 110.429 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.472 ' CG2' ' O ' ' A' ' 68' ' ' LEU . 9.8 t -135.2 119.08 25.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -148.21 162.35 39.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.342 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -79.2 149.62 32.68 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.569 ' CG2' HG21 ' A' ' 37' ' ' ILE . 5.4 t -161.13 106.37 1.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.771 . . . . 0.0 110.446 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.8 41.92 1.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.343 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 33' ' ' SER . 2.1 t70 -95.42 -15.44 22.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 33' ' ' SER . 3.1 mtm105 66.4 -60.79 0.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 31' ' ' ASP . 0.4 OUTLIER -35.47 -38.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.556 ' OD2' HG21 ' A' ' 29' ' ' THR . 0.4 OUTLIER -47.53 144.25 3.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.09 . . . . 0.0 109.317 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 70.5 mm-40 -107.47 -27.6 10.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 110.318 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 16.5 m80 -67.43 -14.65 63.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.577 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.659 HG22 ' HB2' ' A' ' 19' ' ' ARG . 37.0 pt -73.61 -26.5 21.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.36 102.95 0.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.743 HD23 ' HA ' ' A' ' 53' ' ' SER . 21.6 mt -114.82 146.92 40.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.813 ' HG2' HG22 ' A' ' 54' ' ' THR . 0.0 OUTLIER -105.36 114.95 29.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.304 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.39 136.24 33.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 50' ' ' TYR . 6.3 m -139.75 156.77 46.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 110.011 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -116.26 127.25 54.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -110.07 -47.55 3.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.317 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.16 166.02 14.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.948 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 49.9 t -66.45 119.71 12.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.414 ' O ' ' HA ' ' A' ' 81' ' ' LEU . . . 80.15 7.92 88.09 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.51 1.132 . . . . 0.0 111.009 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.639 ' HB3' HD11 ' A' ' 79' ' ' LEU . 22.9 mt-10 -118.39 140.56 49.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 0.784 . . . . 0.0 110.28 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.3 m -134.43 163.3 37.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.594 ' CE2' HD13 ' A' ' 79' ' ' LEU . 3.8 m-85 -131.15 131.93 44.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 111.037 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.62 HD13 HD11 ' A' ' 9' ' ' LEU . 3.2 mt -113.39 115.47 49.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.403 ' HG2' ' N ' ' A' ' 53' ' ' SER . 7.3 tttp -128.59 143.66 51.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.743 ' HA ' HD23 ' A' ' 39' ' ' LEU . 1.1 t -79.25 127.69 32.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.014 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.813 HG22 ' HG2' ' A' ' 40' ' ' GLN . 63.0 p -84.99 8.75 16.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 110.396 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -111.04 -67.84 0.97 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.286 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 26.6 p -74.66 -45.16 46.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.37 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 99.57 33.68 5.26 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -108.93 165.78 11.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 0.746 . . . . 0.0 110.326 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -108.15 138.22 44.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 111.023 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.508 HD11 HD21 ' A' ' 18' ' ' LEU . 7.6 tp -77.14 115.9 17.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -136.87 148.72 47.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 33.9 ttm -104.72 115.91 31.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 111.033 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.411 ' CG ' ' CE2' ' A' ' 69' ' ' TYR . 0.4 OUTLIER -68.53 -167.41 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 43.1 p -83.72 -10.19 58.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.418 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.568 ' CB ' HD12 ' A' ' 67' ' ' LEU . 34.9 m-20 -85.34 -4.59 59.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.462 ' HA3' ' CD ' ' A' ' 116' ' ' PRO . . . 81.17 2.09 90.31 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.48 1.112 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.568 HD12 ' CB ' ' A' ' 65' ' ' ASP . 3.9 mp -87.01 164.95 16.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 0.76 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 1.002 HD11 HG13 ' A' ' 104' ' ' VAL . 23.2 mt -106.74 126.08 51.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.551 ' CD1' ' C ' ' A' ' 69' ' ' TYR . 2.8 p90 -136.89 163.11 31.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 111.013 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -92.54 127.68 9.07 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 111.029 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.6 t -92.49 140.58 29.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 0.795 . . . . 0.0 109.971 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -73.09 -34.22 66.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.2 p -121.22 158.44 53.02 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.405 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 113.14 3.72 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.461 1.769 . . . . 0.0 111.05 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -126.62 154.2 44.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.61 -25.73 1.25 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 110.245 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.509 ' O ' ' CE1' ' A' ' 80' ' ' PHE . 41.4 mt-10 -62.62 -30.39 71.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.097 . . . . 0.0 110.343 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 55.9 m -77.08 -16.86 59.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 108.329 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.639 HD11 ' HB3' ' A' ' 48' ' ' GLU . 2.4 tp -90.43 120.42 31.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.256 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.509 ' CE1' ' O ' ' A' ' 77' ' ' GLU . 20.8 m-85 -121.17 164.14 17.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 111.004 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.848 HD22 ' O ' ' A' ' 93' ' ' ILE . 0.1 OUTLIER -104.55 126.19 51.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.401 ' HA ' ' O ' ' A' ' 91' ' ' THR . 7.0 tm-20 -109.05 152.56 24.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 110.331 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.55 165.16 37.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.302 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.748 HD13 ' N ' ' A' ' 85' ' ' GLU . 0.3 OUTLIER -97.52 133.25 42.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.748 ' N ' HD13 ' A' ' 84' ' ' LEU . 2.0 mt-10 -114.78 166.19 12.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.407 ' O ' ' O ' ' A' ' 85' ' ' GLU . 0.6 OUTLIER -45.77 172.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.306 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 66.36 -83.93 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.593 ' O ' HD11 ' A' ' 128' ' ' LEU . 0.2 OUTLIER 170.37 41.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.597 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.898 ' CD1' HD13 ' A' ' 128' ' ' LEU . 24.4 m-85 -112.47 164.21 13.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 111.019 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -121.51 162.05 21.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 109.276 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' A' ' 82' ' ' GLU . 0.6 OUTLIER -131.97 167.12 20.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 110.434 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -147.49 132.86 18.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.848 ' O ' HD22 ' A' ' 81' ' ' LEU . 54.8 mt -133.19 140.95 45.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.41 ' O ' ' N ' ' A' ' 98' ' ' ALA . 8.8 t -73.26 138.07 45.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.963 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.416 ' HG3' HD11 ' A' ' 81' ' ' LEU . 1.4 tttt -62.87 -76.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.548 ' HB3' ' CD2' ' A' ' 97' ' ' HIS . 7.3 mttt -43.05 -30.15 0.41 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.162 . . . . 0.0 109.264 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.548 ' CD2' ' HB3' ' A' ' 96' ' ' LYS . 0.3 OUTLIER -123.39 59.26 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.58 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.496 ' HA ' ' CG2' ' A' ' 93' ' ' ILE . . . -95.56 -55.63 2.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -54.91 -20.07 8.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 110.28 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -74.41 -3.69 32.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 48.7 65.44 1.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.351 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 43.9 m0 -111.3 138.27 47.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 108.011 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -121.72 149.29 43.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 111.035 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 1.002 HG13 HD11 ' A' ' 68' ' ' LEU . 24.6 t -91.43 91.7 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -126.74 166.46 19.52 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.472 1.108 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.964 HD23 ' HA ' ' A' ' 112' ' ' CYS . 2.6 mt -128.61 133.66 48.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 0.778 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 111' ' ' SER . 0.7 OUTLIER -55.55 -172.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -94.09 -9.59 36.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.262 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -91.73 21.44 4.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 63.93 32.91 85.77 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.526 1.141 . . . . 0.0 110.962 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 107' ' ' LYS . 0.4 OUTLIER -120.77 165.25 15.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 0.768 . . . . 0.0 109.989 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . 0.964 ' HA ' HD23 ' A' ' 106' ' ' LEU . 21.8 p -76.25 134.24 39.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 108.258 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.468 ' HD3' HG22 ' A' ' 118' ' ' THR . 7.0 tttp -91.43 112.43 24.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.443 ' CB ' ' HG3' ' A' ' 117' ' ' ARG . 1.8 mpp_? -37.21 134.52 0.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.48 ' C ' ' H ' ' A' ' 117' ' ' ARG . . . -56.77 -52.51 50.29 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.511 1.132 . . . . 0.0 111.047 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.477 ' CD ' ' N ' ' A' ' 115' ' ' GLY . 18.4 Cg_endo -75.01 35.66 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.482 1.78 . . . . 0.0 111.027 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.48 ' H ' ' C ' ' A' ' 115' ' ' GLY . 6.7 mmm180 -142.86 19.95 1.98 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.342 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.468 HG22 ' HD3' ' A' ' 113' ' ' LYS . 1.0 OUTLIER -118.88 164.67 15.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.387 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -147.69 166.07 28.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.565 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -85.03 114.28 22.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 110.967 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 132.11 -13.51 5.22 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.469 1.105 . . . . 0.0 110.987 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -81.05 162.58 23.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 0.764 . . . . 0.0 110.307 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.888 ' HA ' HD12 ' A' ' 126' ' ' LEU . 5.4 ttmt -89.31 -0.39 57.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.78 -61.1 2.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 4.4 pt -52.66 -26.9 11.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.145 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.888 HD12 ' HA ' ' A' ' 123' ' ' LYS . 37.7 mt -71.57 107.99 4.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.576 ' CZ ' ' O ' ' A' ' 104' ' ' VAL . 1.3 m-30 -116.01 126.4 53.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.898 HD13 ' CD1' ' A' ' 89' ' ' TYR . 3.0 tp -107.46 115.68 59.08 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . 0.449 ' HA ' ' O ' ' A' ' 8' ' ' LEU . 18.1 Cg_endo -75.01 120.54 6.11 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.496 1.787 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.553 HD23 ' HB2' ' A' ' 10' ' ' TYR . 3.9 mm? -97.7 134.63 22.19 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 130' ' ' LEU . 18.4 Cg_endo -74.94 104.3 1.88 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.483 1.78 . . . . 0.0 110.962 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.658 ' CG2' HD11 ' A' ' 8' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.423 ' HG2' ' CG1' ' A' ' 132' ' ' VAL . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.884 0 N-CA-C 110.977 -0.432 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.36 153.44 42.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.142 . . . . 0.0 109.333 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.447 ' O ' ' HA ' ' A' ' 129' ' ' PRO . 0.3 OUTLIER -110.46 144.14 39.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.872 HD21 HD11 ' A' ' 41' ' ' LEU . 21.8 mt -91.79 122.89 34.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.487 ' O ' ' CD1' ' A' ' 127' ' ' PHE . 8.9 t80 -96.21 160.15 14.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 111.046 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 13' ' ' ASN . 46.5 t -138.95 74.68 1.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 108.312 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 11' ' ' CYS . 1.4 p -37.08 -32.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.021 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 11' ' ' CYS . 15.4 t30 -40.34 -67.06 0.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.571 1.169 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -115.55 -22.31 4.8 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.504 1.127 . . . . 0.0 110.968 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 11' ' ' CYS . . . 86.86 75.24 1.27 Allowed Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.512 ' CD2' ' HG2' ' A' ' 30' ' ' ARG . 12.0 m80 -143.71 159.73 41.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 0.751 . . . . 0.0 109.581 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -106.9 140.02 40.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.967 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.701 HD13 HD21 ' A' ' 106' ' ' LEU . 16.7 tp -78.69 115.59 18.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.775 ' HB3' HG22 ' A' ' 37' ' ' ILE . 2.2 ptm180 -116.46 150.46 37.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.349 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.637 HD11 ' HB2' ' A' ' 60' ' ' LEU . 9.5 mt -124.36 113.15 35.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 109.269 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.675 HD21 ' NE ' ' A' ' 19' ' ' ARG . 18.7 mt -80.47 156.45 73.44 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -2.72 12.9 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.49 1.784 . . . . 0.0 111.04 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.52 2.83 55.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.0 43.93 8.5 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.477 1.11 . . . . 0.0 110.966 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.506 ' HB ' HD12 ' A' ' 21' ' ' LEU . 3.0 m -123.93 144.88 49.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 0.773 . . . . 0.0 110.371 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.543 HG11 HD11 ' A' ' 60' ' ' LEU . 4.0 t -134.78 117.49 23.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -148.36 162.09 40.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 110' ' ' GLY . . . -86.35 151.83 24.85 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.513 1.133 . . . . 0.0 110.949 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.403 HG21 ' OD2' ' A' ' 34' ' ' ASP . 1.3 t -158.42 148.36 19.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 0.779 . . . . 0.0 110.402 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.512 ' HG2' ' CD2' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -130.89 48.89 2.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.298 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 33' ' ' SER . 4.2 t0 -105.14 -17.84 14.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 109.264 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 34' ' ' ASP . 7.1 mtm180 65.21 -65.89 0.15 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.559 1.162 . . . . 0.0 110.266 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 31' ' ' ASP . 0.2 OUTLIER -36.54 -33.56 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.995 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 32' ' ' ARG . 3.0 t0 -43.69 127.68 5.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.403 ' O ' ' OE1' ' A' ' 55' ' ' GLU . 41.6 mm-40 -101.6 35.42 2.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 110.323 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.416 ' CD2' ' HG2' ' A' ' 55' ' ' GLU . 40.2 m80 -142.89 17.61 1.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.161 . . . . 0.0 109.638 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.775 HG22 ' HB3' ' A' ' 19' ' ' ARG . 19.8 pt -106.09 -18.94 6.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -67.89 98.65 0.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.295 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 81.9 mt -106.27 147.0 29.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.467 ' HB2' ' CG2' ' A' ' 54' ' ' THR . 0.0 OUTLIER -106.52 114.65 28.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.872 HD11 HD21 ' A' ' 9' ' ' LEU . 0.5 OUTLIER -93.25 136.21 33.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.415 ' O ' ' HA ' ' A' ' 49' ' ' VAL . 3.2 m -141.32 159.69 41.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.995 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -116.52 129.01 55.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.555 1.16 . . . . 0.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.426 ' HG2' ' OG ' ' A' ' 45' ' ' SER . 0.5 OUTLIER -113.15 -41.12 3.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 110.254 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.426 ' OG ' ' HG2' ' A' ' 44' ' ' GLU . 0.9 OUTLIER -128.53 165.99 19.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.432 1.082 . . . . 0.0 109.985 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.1 t -63.97 117.12 4.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.44 1.088 . . . . 0.0 109.316 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.18 9.38 86.67 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.463 1.102 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.557 ' HB3' HD11 ' A' ' 79' ' ' LEU . 23.6 mt-10 -116.56 140.93 48.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 0.762 . . . . 0.0 110.304 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.415 ' HA ' ' O ' ' A' ' 42' ' ' SER . 19.9 m -137.74 152.54 26.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.425 ' CE2' HD22 ' A' ' 79' ' ' LEU . 1.3 m-85 -122.33 132.69 54.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.477 HD12 HD23 ' A' ' 60' ' ' LEU . 4.7 mt -112.44 125.18 69.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -135.35 140.84 45.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.26 121.38 24.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.043 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.467 ' CG2' ' HB2' ' A' ' 40' ' ' GLN . 68.4 p -81.45 -3.6 53.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.358 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.416 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 11.0 tp10 -99.74 -69.61 0.76 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 22.2 p -70.38 -62.37 1.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.425 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 120.29 38.88 0.66 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -121.92 164.8 16.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 0.747 . . . . 0.0 110.294 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -108.13 141.05 40.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.637 ' HB2' HD11 ' A' ' 20' ' ' ILE . 7.3 tp -77.02 113.05 14.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.105 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.439 ' HB2' ' SG ' ' A' ' 78' ' ' CYS . . . -134.69 152.47 51.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 36.6 tpp -104.11 136.93 42.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.529 ' CG ' ' CE2' ' A' ' 69' ' ' TYR . 0.7 OUTLIER -91.52 -170.38 2.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 58.0 p -81.45 -21.12 39.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.429 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.464 ' CB ' HD22 ' A' ' 67' ' ' LEU . 2.2 m-20 -77.38 -2.88 37.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 81.51 -2.44 82.4 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.538 1.149 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.464 HD22 ' CB ' ' A' ' 65' ' ' ASP . 0.5 OUTLIER -85.67 156.26 20.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 0.792 . . . . 0.0 109.313 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.49 HD11 HG13 ' A' ' 104' ' ' VAL . 35.3 mt -96.15 142.17 28.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.554 ' CD1' ' C ' ' A' ' 69' ' ' TYR . 2.9 p90 -151.06 162.19 41.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.975 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -93.98 130.41 10.3 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.8 t -96.08 139.89 31.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 0.784 . . . . 0.0 110.023 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -70.33 -34.9 73.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.3 p -120.59 159.06 49.86 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.415 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 111.79 3.41 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.501 1.79 . . . . 0.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -124.53 154.57 40.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.41 -25.4 1.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.323 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.426 ' O ' ' CE1' ' A' ' 80' ' ' PHE . 25.2 mt-10 -65.11 -27.82 69.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.097 . . . . 0.0 110.295 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.439 ' SG ' ' HB2' ' A' ' 61' ' ' ALA . 63.6 m -79.56 -15.63 57.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 108.288 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.557 HD11 ' HB3' ' A' ' 48' ' ' GLU . 2.0 tp -89.8 124.87 35.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.588 ' C ' HD13 ' A' ' 81' ' ' LEU . 13.0 m-85 -125.0 165.04 18.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.575 1.172 . . . . 0.0 110.997 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.811 HD22 ' O ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -103.93 129.73 51.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.319 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.55 146.18 36.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.322 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.499 ' HG3' ' N ' ' A' ' 84' ' ' LEU . 16.1 tpt180 -143.86 151.08 39.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.499 ' N ' ' HG3' ' A' ' 83' ' ' ARG . 0.6 OUTLIER -95.45 126.26 40.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.493 ' N ' HD13 ' A' ' 84' ' ' LEU . 5.2 mm-40 -99.52 160.72 14.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.247 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -83.83 51.09 1.95 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -158.08 26.55 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 59.2 m-70 53.37 43.41 31.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.566 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.44 ' CE1' HD12 ' A' ' 128' ' ' LEU . 4.3 m-85 -143.81 143.69 31.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.437 ' N ' ' OD1' ' A' ' 90' ' ' ASN . 0.7 OUTLIER -114.48 156.86 23.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 109.352 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.487 HG22 ' O ' ' A' ' 125' ' ' ILE . 60.5 p -126.67 170.67 11.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 110.361 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.475 ' HE2' HD22 ' A' ' 9' ' ' LEU . 30.9 m-85 -143.64 133.12 23.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.811 ' O ' HD22 ' A' ' 81' ' ' LEU . 16.6 mt -131.27 140.3 48.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.6 t -66.49 138.74 57.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 109.981 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.789 ' HG3' HD11 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -67.3 -72.46 0.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.573 ' HB3' ' CD2' ' A' ' 97' ' ' HIS . 2.6 tttt -44.26 -29.14 0.61 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 109.254 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.573 ' CD2' ' HB3' ' A' ' 96' ' ' LYS . 0.2 OUTLIER -122.02 51.14 1.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.615 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -84.15 -48.08 10.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -65.97 -10.52 40.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.278 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.542 ' HD2' ' CZ2' ' A' ' 102' ' ' TRP . 14.4 mttt -83.12 -9.7 59.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 52.71 63.77 2.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.165 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.567 ' CD1' ' C ' ' A' ' 115' ' ' GLY . 46.0 m0 -113.21 131.83 55.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 107.994 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.58 ' CE2' HD11 ' A' ' 93' ' ' ILE . 64.8 m-85 -116.78 148.96 40.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.985 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.549 ' CG1' HD22 ' A' ' 18' ' ' LEU . 8.3 t -76.49 -17.72 14.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.145 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.565 ' HA2' ' CE1' ' A' ' 127' ' ' PHE . . . -31.96 139.92 0.06 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.922 HD23 ' HA ' ' A' ' 112' ' ' CYS . 1.1 mt -106.83 160.72 15.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 0.765 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 111' ' ' SER . 20.1 mttt -72.45 -170.82 0.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.436 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 0.3 OUTLIER -74.66 -29.87 61.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.421 1.076 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.417 ' N ' ' HG3' ' A' ' 108' ' ' LYS . 16.2 p-10 -83.89 16.03 3.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . 62.25 43.53 98.97 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.533 1.146 . . . . 0.0 111.037 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.438 ' O ' ' HA ' ' A' ' 106' ' ' LEU . 0.4 OUTLIER -112.94 147.16 37.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 0.784 . . . . 0.0 109.982 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . 0.922 ' HA ' HD23 ' A' ' 106' ' ' LEU . 18.4 p -65.96 128.87 37.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 108.307 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.851 ' HD3' HG22 ' A' ' 118' ' ' THR . 10.4 tttp -90.48 115.82 27.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.431 ' CB ' ' HG3' ' A' ' 117' ' ' ARG . 0.1 OUTLIER -38.38 132.13 1.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.32 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.567 ' C ' ' CD1' ' A' ' 102' ' ' TRP . . . -46.94 -59.07 5.8 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 34.21 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.527 1.804 . . . . 0.0 111.06 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.501 ' H ' ' C ' ' A' ' 115' ' ' GLY . 5.9 mmm180 -143.12 19.35 1.93 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 110.277 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.851 HG22 ' HD3' ' A' ' 113' ' ' LYS . 2.9 p -125.84 163.19 23.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.411 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -169.01 -171.42 1.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.596 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -87.93 144.64 26.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 111.001 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 108.8 -22.97 24.92 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.515 1.134 . . . . 0.0 110.972 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -79.57 144.64 33.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 0.78 . . . . 0.0 110.287 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.487 ' HG3' HD12 ' A' ' 126' ' ' LEU . 21.8 ttmt -92.7 28.68 1.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.451 ' O ' ' CA ' ' A' ' 105' ' ' GLY . . . -106.73 -31.0 8.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.137 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.557 HG22 ' CB ' ' A' ' 103' ' ' PHE . 15.7 pt -77.56 -27.65 15.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.487 HD12 ' HG3' ' A' ' 123' ' ' LYS . 76.7 mt -65.47 103.95 0.91 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.11 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.565 ' CE1' ' HA2' ' A' ' 105' ' ' GLY . 2.2 m-30 -115.9 149.8 38.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.939 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.806 HD23 ' HD2' ' A' ' 129' ' ' PRO . 0.5 OUTLIER -131.11 115.61 16.5 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . 0.806 ' HD2' HD23 ' A' ' 128' ' ' LEU . 18.2 Cg_endo -75.0 107.21 2.43 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.509 1.794 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.738 HD22 ' O ' ' A' ' 128' ' ' LEU . 2.1 mm? -87.34 141.59 32.7 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 130' ' ' LEU . 18.1 Cg_endo -75.06 128.08 11.15 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.474 1.776 . . . . 0.0 110.973 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.445 ' CG2' HD11 ' A' ' 8' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.893 0 N-CA-C 110.987 -0.428 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.28 164.03 29.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.46 ' O ' ' HA ' ' A' ' 129' ' ' PRO . 0.8 OUTLIER -109.21 141.78 40.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.421 HD11 HD21 ' A' ' 41' ' ' LEU . 2.9 mm? -91.78 117.78 30.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.338 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.567 ' CE1' ' HA2' ' A' ' 15' ' ' GLY . 64.7 t80 -98.38 154.31 17.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.972 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 15' ' ' GLY . 53.6 t -131.84 79.13 1.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 108.33 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.447 ' HA ' ' CE2' ' A' ' 10' ' ' TYR . 2.1 t -37.88 -32.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.0 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 11' ' ' CYS . 30.9 t30 -42.97 -53.18 4.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -119.71 -35.8 0.88 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.567 ' HA2' ' CE1' ' A' ' 10' ' ' TYR . . . 94.5 65.56 1.01 Allowed Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 55.5 m80 -140.55 162.68 34.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.442 0.73 . . . . 0.0 109.577 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -104.5 143.04 33.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.728 ' CD1' HD11 ' A' ' 106' ' ' LEU . 13.0 tp -77.78 112.02 14.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.659 ' HB2' HG22 ' A' ' 37' ' ' ILE . 17.9 ttp180 -108.82 140.02 42.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.158 . . . . 0.0 110.313 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.609 HD11 ' HB2' ' A' ' 60' ' ' LEU . 33.7 mt -119.94 103.25 13.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 19.6 mt -74.0 155.3 88.56 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.347 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -0.7 10.3 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.483 1.78 . . . . 0.0 110.984 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -94.8 7.06 47.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.25 36.28 35.33 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.532 1.145 . . . . 0.0 111.02 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.4 m -115.69 146.63 41.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 0.781 . . . . 0.0 110.4 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.2 t -135.38 114.21 16.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.411 1.069 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -148.88 162.81 39.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.63 137.93 17.5 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.52 1.137 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.435 ' CG2' ' CG2' ' A' ' 37' ' ' ILE . 4.4 t -141.36 118.39 11.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 0.758 . . . . 0.0 110.358 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.2 ttt180 -93.98 56.06 2.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.446 ' O ' ' C ' ' A' ' 32' ' ' ARG . 5.7 t0 -142.64 79.91 1.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.588 ' HA ' HD11 ' A' ' 37' ' ' ILE . 2.7 mpp_? -35.59 -44.82 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.459 ' C ' ' O ' ' A' ' 32' ' ' ARG . 0.3 OUTLIER -35.07 -41.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.983 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.403 ' OD2' ' NH1' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -43.75 123.12 3.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -92.5 34.91 1.03 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.255 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.563 ' CD2' ' HG2' ' A' ' 55' ' ' GLU . 24.6 m80 -130.37 -45.38 1.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.583 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.659 HG22 ' HB2' ' A' ' 19' ' ' ARG . 30.1 pt -43.33 -27.8 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.434 ' N ' ' C ' ' A' ' 36' ' ' HIS . 5.2 mt-30 -59.63 82.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.67 HD23 ' HA ' ' A' ' 53' ' ' SER . 41.9 mt -88.53 148.04 24.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.255 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.466 ' HB2' HG22 ' A' ' 54' ' ' THR . 0.0 OUTLIER -104.43 114.39 28.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.147 . . . . 0.0 110.294 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.87 ' CD1' HG23 ' A' ' 51' ' ' ILE . 0.2 OUTLIER -97.18 133.85 41.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.564 1.165 . . . . 0.0 109.26 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.6 m -143.77 156.03 44.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.988 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -114.54 124.53 52.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -108.36 -41.36 4.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.68 163.3 23.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.99 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 55.0 t -62.18 119.8 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.87 13.92 83.13 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.115 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.692 ' HB3' HD11 ' A' ' 79' ' ' LEU . 15.4 mt-10 -120.79 136.72 54.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 0.746 . . . . 0.0 110.284 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 32.8 m -136.33 149.29 27.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.8 ' CE2' HD13 ' A' ' 79' ' ' LEU . 7.5 m-85 -116.92 132.02 56.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.87 HG23 ' CD1' ' A' ' 41' ' ' LEU . 4.2 mt -115.87 121.82 68.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.249 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -142.21 153.46 44.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.67 ' HA ' HD23 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -84.28 137.48 33.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.989 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.466 HG22 ' HB2' ' A' ' 40' ' ' GLN . 58.6 p -94.45 8.91 40.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 110.442 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.563 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 4.5 tp10 -103.83 -70.64 0.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 27.1 p -74.94 -54.89 6.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.402 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 115.27 41.31 0.82 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.474 1.109 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.514 ' NE2' HG22 ' A' ' 20' ' ' ILE . 6.3 mt-30 -115.56 156.44 25.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 0.754 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.458 ' CE1' ' HB3' ' A' ' 74' ' ' PRO . 54.5 m-85 -103.45 140.88 36.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 110.989 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.609 ' HB2' HD11 ' A' ' 20' ' ' ILE . 5.0 tp -80.73 116.74 20.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.251 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -138.4 155.42 48.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 50.9 ttm -109.95 115.88 30.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.54 ' CG ' ' CE2' ' A' ' 69' ' ' TYR . 1.1 m-20 -69.93 -172.14 0.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.3 p -82.15 -2.23 51.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 110.395 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -86.54 -13.57 45.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.08 -8.43 77.83 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.535 1.147 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.487 HD13 ' N ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -91.68 164.93 13.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 0.778 . . . . 0.0 109.286 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.828 HD11 HG13 ' A' ' 104' ' ' VAL . 5.7 mt -101.05 141.73 33.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.54 ' CE2' ' CG ' ' A' ' 63' ' ' ASP . 4.8 p90 -139.71 166.75 23.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.138 . . . . 0.0 111.009 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -89.58 119.7 5.57 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.83 140.22 29.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 0.751 . . . . 0.0 109.987 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -77.86 -31.19 51.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.28 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.7 p -131.95 155.94 80.73 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.425 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.458 ' HB3' ' CE1' ' A' ' 59' ' ' TYR . 18.4 Cg_endo -74.99 110.54 3.14 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.503 1.791 . . . . 0.0 110.977 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 60.3 m-80 -124.29 157.61 34.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -46.32 -25.54 0.66 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.27 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -61.58 -31.78 71.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.323 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.423 ' SG ' ' CB ' ' A' ' 59' ' ' TYR . 24.6 m -75.72 -16.5 60.14 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 108.331 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.8 HD13 ' CE2' ' A' ' 50' ' ' TYR . 4.1 tp -85.29 119.55 25.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -117.84 165.66 13.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.575 HD21 ' HA ' ' A' ' 95' ' ' LYS . 1.3 mm? -103.04 123.43 46.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.422 ' HG2' ' N ' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -108.99 144.79 36.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.342 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.422 ' N ' ' HG2' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -142.55 166.23 25.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.354 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.642 HD22 ' N ' ' A' ' 85' ' ' GLU . 0.3 OUTLIER -97.73 112.55 24.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.642 ' N ' HD22 ' A' ' 84' ' ' LEU . 8.7 mm-40 -105.29 151.78 23.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -56.25 176.43 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.327 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 68.11 9.81 7.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.127 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 37.5 m170 62.29 61.49 1.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.554 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.828 ' CD1' HD13 ' A' ' 128' ' ' LEU . 2.3 m-85 -143.62 151.5 40.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 110.999 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.403 ' OD1' ' N ' ' A' ' 90' ' ' ASN . 0.8 OUTLIER -113.31 160.29 18.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.27 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.552 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 24.3 p -130.03 171.62 12.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.428 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.552 ' CD1' ' O ' ' A' ' 91' ' ' THR . 33.8 m-85 -149.86 132.98 16.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 111.026 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.733 HD11 ' CE2' ' A' ' 103' ' ' PHE . 34.4 mt -134.33 143.75 37.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.266 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 98' ' ' ALA . 0.2 OUTLIER -69.24 138.71 54.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.039 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.575 ' HA ' HD21 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -67.04 -65.35 0.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.572 ' HB3' ' CD2' ' A' ' 97' ' ' HIS . 18.7 tttt -51.2 -22.69 2.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.572 ' CD2' ' HB3' ' A' ' 96' ' ' LYS . 0.1 OUTLIER -123.77 41.53 3.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.572 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 94' ' ' SER . . . -76.64 -41.69 44.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.41 ' O ' ' OD1' ' A' ' 101' ' ' ASN . 4.3 pt-20 -68.84 -22.2 64.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 110.293 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.534 ' HD3' ' CZ2' ' A' ' 102' ' ' TRP . 0.9 OUTLIER -74.56 -9.87 59.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.41 ' OD1' ' O ' ' A' ' 99' ' ' GLU . 0.4 OUTLIER 50.13 65.04 1.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.6 ' O ' HG23 ' A' ' 93' ' ' ILE . 51.2 m0 -111.99 131.98 55.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 108.036 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.733 ' CE2' HD11 ' A' ' 93' ' ' ILE . 88.5 m-85 -115.64 148.2 39.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 111.033 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.828 HG13 HD11 ' A' ' 68' ' ' LEU . 40.6 t -87.44 125.78 41.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.485 ' HA2' ' CE1' ' A' ' 127' ' ' PHE . . . -161.15 165.94 35.54 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.54 1.15 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.759 HD23 ' HA ' ' A' ' 112' ' ' CYS . 8.9 mt -134.16 137.11 44.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 0.767 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.2 mmtm -64.84 -168.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -82.73 -23.29 34.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -86.29 7.23 26.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 73.53 35.23 56.04 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.529 1.143 . . . . 0.0 111.018 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.401 ' O ' ' HA ' ' A' ' 106' ' ' LEU . 37.5 m -109.2 141.7 41.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.766 . . . . 0.0 110.01 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . 0.759 ' HA ' HD23 ' A' ' 106' ' ' LEU . 17.6 p -66.39 135.25 54.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 108.276 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.838 ' HE3' HG22 ' A' ' 118' ' ' THR . 28.5 ttpt -90.1 121.85 32.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 113' ' ' LYS . 0.2 OUTLIER -36.67 132.77 0.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.284 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.58 ' N ' ' CD ' ' A' ' 116' ' ' PRO . . . -61.22 -46.46 94.44 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.443 1.089 . . . . 0.0 110.984 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.58 ' CD ' ' N ' ' A' ' 115' ' ' GLY . 18.2 Cg_endo -75.03 3.01 6.01 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.497 1.788 . . . . 0.0 110.992 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.403 ' HG3' ' CB ' ' A' ' 114' ' ' ARG . 4.9 mmt-85 -115.39 41.38 2.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.361 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.838 HG22 ' HE3' ' A' ' 113' ' ' LYS . 18.6 p -122.52 166.92 14.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.383 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.444 ' ND1' ' O ' ' A' ' 118' ' ' THR . 0.0 OUTLIER -176.48 175.11 1.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.58 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.418 ' CE1' ' CZ ' ' A' ' 103' ' ' PHE . 30.7 m-85 -88.22 123.36 32.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.988 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 133.86 -23.22 3.76 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.473 1.108 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -80.06 151.41 29.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 110.246 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.58 ' HA ' HD12 ' A' ' 126' ' ' LEU . 22.9 ttmt -93.28 21.64 5.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -98.65 -52.99 3.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 3.7 pt -55.16 -25.36 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.257 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.58 HD12 ' HA ' ' A' ' 123' ' ' LYS . 23.9 mt -73.12 109.7 6.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.485 ' CE1' ' HA2' ' A' ' 105' ' ' GLY . 1.8 m-30 -118.89 145.1 45.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.828 HD13 ' CD1' ' A' ' 89' ' ' TYR . 3.7 tp -130.4 116.78 17.57 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.16 . . . . 0.0 109.318 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . 0.46 ' HA ' ' O ' ' A' ' 8' ' ' LEU . 18.2 Cg_endo -75.02 128.01 11.13 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.511 1.795 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.421 HD23 ' HB2' ' A' ' 10' ' ' TYR . 3.9 mm? -101.69 132.28 21.9 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.348 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 103.73 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.447 1.761 . . . . 0.0 111.0 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 4.7 p . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.332 179.972 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.768 ' O ' HG12 ' A' ' 132' ' ' VAL . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.906 0 N-CA-C 110.979 -0.431 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.472 ' C ' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -140.77 172.31 12.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.727 ' HG ' HD12 ' A' ' 37' ' ' ILE . 0.7 OUTLIER -110.62 159.25 17.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 29.1 mt -108.06 104.23 13.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.712 ' HB2' HD23 ' A' ' 130' ' ' LEU . 33.2 t80 -83.81 166.28 18.1 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.494 ' O ' ' C ' ' A' ' 12' ' ' SER . 53.3 t -141.18 78.36 1.64 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 108.311 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.494 ' C ' ' O ' ' A' ' 11' ' ' CYS . 0.8 OUTLIER -32.3 -40.66 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.02 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 11' ' ' CYS . 24.6 t30 -38.3 -64.82 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -109.09 -30.72 3.55 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.509 1.131 . . . . 0.0 111.023 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.488 ' HA2' ' CZ ' ' A' ' 10' ' ' TYR . . . 87.35 76.34 1.27 Allowed Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.579 ' CD2' ' HB2' ' A' ' 30' ' ' ARG . 49.8 m80 -151.04 158.03 43.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 0.774 . . . . 0.0 109.638 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.589 ' CD1' ' HB3' ' A' ' 8' ' ' LEU . 21.5 m-85 -96.86 141.4 30.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.5 tp -78.75 110.31 13.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.794 ' HB3' HG22 ' A' ' 37' ' ' ILE . 5.2 ptm180 -116.61 154.08 31.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.795 HD11 ' HB2' ' A' ' 60' ' ' LEU . 47.1 mt -125.24 111.01 26.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.518 HD21 ' NE ' ' A' ' 19' ' ' ARG . 33.6 mt -72.12 157.92 88.51 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.246 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 0.71 8.61 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.489 1.784 . . . . 0.0 110.976 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.66 -17.57 19.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.69 46.37 1.52 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.47 ' CG2' ' OD2' ' A' ' 27' ' ' ASP . 1.1 m -126.53 147.89 49.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 0.76 . . . . 0.0 110.409 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.7 t -134.47 110.87 13.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.13 . . . . 0.0 109.253 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.47 ' OD2' ' CG2' ' A' ' 25' ' ' THR . 0.7 OUTLIER -149.02 162.59 39.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.085 . . . . 0.0 109.313 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -79.47 136.31 17.0 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.564 1.165 . . . . 0.0 110.95 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.496 ' O ' ' C ' ' A' ' 30' ' ' ARG . 12.8 t -123.73 -1.12 8.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 0.787 . . . . 0.0 110.384 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.579 ' HB2' ' CD2' ' A' ' 16' ' ' HIS . 0.2 OUTLIER 31.55 41.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.276 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.677 ' O ' HD13 ' A' ' 37' ' ' ILE . 0.3 OUTLIER -130.88 128.43 40.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.486 ' HG2' ' CE2' ' A' ' 17' ' ' PHE . 2.3 mtm180 -88.76 -22.94 23.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.01 -57.17 14.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.965 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -43.92 148.51 0.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -102.7 -25.91 13.37 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.526 1.141 . . . . 0.0 110.327 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.571 ' CD2' ' HG2' ' A' ' 55' ' ' GLU . 70.5 m80 -59.66 -15.31 18.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.594 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.794 HG22 ' HB3' ' A' ' 19' ' ' ARG . 2.7 pt -80.28 -36.33 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.51 ' HG2' HG11 ' A' ' 132' ' ' VAL . 60.3 mt-30 -55.66 95.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.238 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 53' ' ' SER . 41.1 mt -100.66 147.64 25.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.465 ' HG3' HG21 ' A' ' 54' ' ' THR . 0.0 OUTLIER -103.4 117.3 34.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 0.0 110.323 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.6 mp -99.99 136.27 40.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.41 ' O ' ' HA ' ' A' ' 49' ' ' VAL . 9.6 m -141.37 160.86 39.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.98 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -115.82 124.04 49.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.467 ' HG2' ' OG ' ' A' ' 45' ' ' SER . 0.5 OUTLIER -105.78 -45.42 4.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 110.31 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.467 ' OG ' ' HG2' ' A' ' 44' ' ' GLU . 0.8 OUTLIER -128.83 166.75 18.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 110.026 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.6 p -61.15 121.68 9.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.257 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.48 14.66 79.38 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.538 1.149 . . . . 0.0 110.991 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.769 ' HB3' HD11 ' A' ' 79' ' ' LEU . 14.0 mt-10 -122.69 131.12 53.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 0.741 . . . . 0.0 110.313 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.538 ' O ' HD12 ' A' ' 79' ' ' LEU . 15.3 m -129.64 153.31 38.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.499 ' CZ ' ' HB2' ' A' ' 79' ' ' LEU . 1.4 m-85 -120.99 131.44 54.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.157 . . . . 0.0 110.975 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.63 HD12 HD23 ' A' ' 60' ' ' LEU . 20.9 mt -110.7 128.45 67.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.26 152.57 44.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.423 ' HA ' HD23 ' A' ' 39' ' ' LEU . 0.3 OUTLIER -92.0 128.55 37.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.057 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.465 HG21 ' HG3' ' A' ' 40' ' ' GLN . 20.7 p -90.41 8.53 33.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.132 . . . . 0.0 110.412 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.571 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 35.9 tp10 -103.36 -67.03 0.9 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.325 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 43.7 p -80.82 -41.98 22.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 110.381 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 102.52 39.15 2.84 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.132 . . . . 0.0 111.008 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -119.69 156.38 30.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.77 . . . . 0.0 110.299 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -98.84 139.29 34.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.974 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.795 ' HB2' HD11 ' A' ' 20' ' ' ILE . 4.0 tp -77.67 119.5 21.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.468 ' HB2' ' SG ' ' A' ' 78' ' ' CYS . . . -139.67 149.64 43.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 38.7 ttm -103.2 116.14 31.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.977 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -65.53 172.85 3.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.253 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.8 p -66.14 -35.97 81.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.385 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -54.46 -31.65 56.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 111.57 6.18 25.38 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.517 1.136 . . . . 0.0 110.976 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.447 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 0.8 OUTLIER -96.5 161.23 14.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 0.756 . . . . 0.0 109.308 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.793 HD11 HG13 ' A' ' 104' ' ' VAL . 9.9 mt -99.11 139.0 35.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.572 ' CD1' ' C ' ' A' ' 69' ' ' TYR . 1.8 p90 -150.13 154.89 38.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -85.65 125.51 7.32 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.524 1.14 . . . . 0.0 110.97 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.3 t -90.33 139.74 30.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 0.747 . . . . 0.0 110.006 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.13 -36.86 84.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.279 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.9 p -123.12 159.02 56.08 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.403 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 103.23 1.7 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.493 1.786 . . . . 0.0 111.035 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 18.2 m-20 -115.37 157.41 23.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 109.323 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -47.38 -35.56 8.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 110.292 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -57.32 -21.31 34.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 110.301 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.468 ' SG ' ' HB2' ' A' ' 61' ' ' ALA . 74.4 m -85.24 -16.89 38.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 108.305 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.769 HD11 ' HB3' ' A' ' 48' ' ' GLU . 9.5 tp -87.45 128.09 35.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.453 ' C ' HD13 ' A' ' 81' ' ' LEU . 15.8 m-85 -128.07 166.05 19.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.5 HD12 ' HG2' ' A' ' 48' ' ' GLU . 0.6 OUTLIER -102.65 127.5 49.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.412 ' HA ' ' O ' ' A' ' 91' ' ' THR . 4.4 tm-20 -108.85 147.26 32.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 110.297 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.76 155.46 29.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 110.338 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.453 HD22 ' N ' ' A' ' 85' ' ' GLU . 2.0 tm? -92.4 120.75 33.21 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.469 ' HG3' ' CG2' ' A' ' 91' ' ' THR . 9.4 mm-40 -97.76 167.82 10.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.465 ' O ' ' O ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -46.51 177.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.31 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 36.8 m-20 62.89 -89.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 175.32 52.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.605 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.716 ' CE1' HD22 ' A' ' 128' ' ' LEU . 33.2 m-85 -128.35 164.92 21.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.103 . . . . 0.0 110.986 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -122.17 151.48 40.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.469 ' CG2' ' HG3' ' A' ' 85' ' ' GLU . 8.5 p -126.45 150.28 48.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.374 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -130.54 132.68 45.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 111.04 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.941 HD11 ' CE2' ' A' ' 103' ' ' PHE . 65.2 mt -130.7 143.48 40.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.404 ' O ' ' CA ' ' A' ' 98' ' ' ALA . 7.4 t -70.4 138.48 51.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.979 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 98' ' ' ALA . 0.4 OUTLIER -67.25 -77.16 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.448 ' HB3' ' CD2' ' A' ' 97' ' ' HIS . 3.2 mttt -40.27 -30.88 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.448 ' CD2' ' HB3' ' A' ' 96' ' ' LYS . 2.2 m-70 -120.82 51.86 1.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.641 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 95' ' ' LYS . . . -87.25 -47.93 8.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -58.78 -20.58 51.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.291 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.562 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 3.8 mtpt -75.87 -3.78 37.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 45.98 64.26 1.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.168 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.562 ' CD1' ' O ' ' A' ' 100' ' ' LYS . 50.7 m0 -112.13 130.98 55.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 107.986 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.941 ' CE2' HD11 ' A' ' 93' ' ' ILE . 95.5 m-85 -116.26 148.83 40.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 110.959 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.793 HG13 HD11 ' A' ' 68' ' ' LEU . 21.3 t -85.42 118.03 31.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -158.45 161.57 31.81 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.546 1.154 . . . . 0.0 110.968 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.837 HD23 ' HA ' ' A' ' 112' ' ' CYS . 6.9 mt -125.45 156.89 38.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 0.783 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -82.77 -172.06 3.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.9 ttmt -78.0 -20.69 52.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -86.8 4.28 41.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.291 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 73.91 34.63 55.65 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.523 1.139 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.404 ' O ' ' HA ' ' A' ' 106' ' ' LEU . 96.3 p -111.6 146.43 37.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 0.783 . . . . 0.0 109.977 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . 0.837 ' HA ' HD23 ' A' ' 106' ' ' LEU . 17.2 p -65.89 135.5 54.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 108.297 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.0 ttmm -89.97 125.67 35.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.259 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.48 129.26 4.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.32 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.514 ' N ' ' CD ' ' A' ' 116' ' ' PRO . . . -54.41 -50.36 56.89 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.496 1.123 . . . . 0.0 110.946 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.514 ' CD ' ' N ' ' A' ' 115' ' ' GLY . 18.3 Cg_endo -74.96 33.57 0.38 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.476 1.777 . . . . 0.0 110.979 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.507 ' H ' ' C ' ' A' ' 115' ' ' GLY . 3.4 mmt-85 -143.03 22.65 1.91 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.254 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 2.6 p -114.27 160.7 18.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.363 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -175.63 179.58 1.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.577 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -79.49 144.33 34.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 108.96 -24.68 20.86 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -81.34 149.7 28.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 0.776 . . . . 0.0 110.257 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 3.1 ttmm -93.62 23.78 4.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -95.78 -56.47 2.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.138 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.706 HG22 ' CB ' ' A' ' 103' ' ' PHE . 12.1 pt -47.81 -41.54 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.423 ' HB3' ' CG ' ' A' ' 89' ' ' TYR . 31.3 mt -59.79 107.64 0.64 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -115.52 133.42 56.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.982 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.716 HD22 ' CE1' ' A' ' 89' ' ' TYR . 5.4 tp -114.59 104.18 54.53 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . 0.511 ' HA ' ' O ' ' A' ' 8' ' ' LEU . 18.1 Cg_endo -75.02 119.27 5.57 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.503 1.791 . . . . 0.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.712 HD23 ' HB2' ' A' ' 10' ' ' TYR . 3.7 mm? -97.4 127.18 38.96 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 128.01 11.1 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.449 1.762 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.768 HG12 ' O ' ' A' ' 6' ' ' PRO . 3.1 p . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.914 0 N-CA-C 110.997 -0.424 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.415 ' CD ' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -140.48 177.35 8.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.276 -179.932 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.735 HD22 HD12 ' A' ' 37' ' ' ILE . 2.7 mt -123.38 138.4 54.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.451 ' HB3' ' CD2' ' A' ' 127' ' ' PHE . 23.4 mt -91.99 110.85 22.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.505 ' CE1' ' HA2' ' A' ' 15' ' ' GLY . 54.3 t80 -88.3 151.87 22.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.409 ' O ' ' C ' ' A' ' 12' ' ' SER . 9.2 t -122.46 81.39 1.84 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 108.254 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.479 ' HA ' ' CE2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -38.07 -40.59 0.5 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.02 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.41 ' N ' ' HG2' ' A' ' 123' ' ' LYS . 48.0 t30 -67.68 70.34 0.12 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 12' ' ' SER . . . 121.25 -46.32 1.13 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.505 ' HA2' ' CE1' ' A' ' 10' ' ' TYR . . . 92.0 87.36 1.49 Allowed Glycine 0 CA--C 1.531 1.042 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.556 ' CD2' ' HG2' ' A' ' 30' ' ' ARG . 61.5 m80 -154.79 160.72 41.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 0.785 . . . . 0.0 109.651 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -113.22 141.58 46.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 111.021 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.768 ' CD1' HD21 ' A' ' 106' ' ' LEU . 11.5 tp -79.01 122.41 26.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.591 ' HB3' HG22 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -125.25 151.31 46.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.687 HD11 ' HB2' ' A' ' 60' ' ' LEU . 71.4 mt -124.5 111.74 29.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.482 HD21 ' HD2' ' A' ' 19' ' ' ARG . 29.2 mt -82.07 157.65 68.3 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 0.57 8.77 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.464 1.771 . . . . 0.0 110.981 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.91 3.27 49.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.76 47.99 7.46 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.565 1.166 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.8 m -125.61 141.16 52.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 0.751 . . . . 0.0 110.37 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.1 t -135.06 113.28 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -148.66 162.11 40.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.107 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -84.7 142.25 20.01 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.47 1.107 . . . . 0.0 111.059 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.555 HG21 ' OD2' ' A' ' 34' ' ' ASP . 9.0 t -146.19 132.99 20.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 0.754 . . . . 0.0 110.399 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.556 ' HG2' ' CD2' ' A' ' 16' ' ' HIS . 9.3 ptt180 -103.59 56.11 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.321 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -142.51 88.28 2.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 33' ' ' SER . 0.1 OUTLIER -39.97 -36.38 0.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.266 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 32' ' ' ARG . 0.1 OUTLIER -38.32 -51.16 1.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.971 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.555 ' OD2' HG21 ' A' ' 29' ' ' THR . 0.6 OUTLIER -44.38 141.34 1.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -107.97 -16.35 14.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.331 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.4 ' CD2' ' HG2' ' A' ' 55' ' ' GLU . 9.0 m80 -76.0 -7.42 54.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.597 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.735 HD12 HD22 ' A' ' 8' ' ' LEU . 14.6 pt -83.37 -16.74 11.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.42 ' HG2' HG11 ' A' ' 132' ' ' VAL . 30.9 mt-30 -67.16 83.63 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.255 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.688 HD23 ' HA ' ' A' ' 53' ' ' SER . 44.9 mt -93.98 144.18 25.69 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.587 1.18 . . . . 0.0 109.345 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.58 ' HG3' HG21 ' A' ' 54' ' ' THR . 0.0 OUTLIER -106.87 114.9 29.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.302 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.868 HD11 HG23 ' A' ' 51' ' ' ILE . 0.3 OUTLIER -95.52 133.69 39.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.329 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.434 ' O ' ' HA ' ' A' ' 49' ' ' VAL . 2.4 m -133.73 161.31 35.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.004 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -118.79 130.22 55.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.619 ' OE2' ' CD2' ' A' ' 50' ' ' TYR . 62.5 mt-10 -117.54 -51.06 2.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 110.307 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.39 165.69 20.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.979 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 40.7 t -54.44 125.08 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.448 ' O ' ' HA ' ' A' ' 81' ' ' LEU . . . 65.58 13.85 59.31 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.413 ' HB3' HD11 ' A' ' 79' ' ' LEU . 4.7 mt-10 -114.18 120.9 42.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 0.746 . . . . 0.0 110.312 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.434 ' HA ' ' O ' ' A' ' 42' ' ' SER . 13.9 m -130.69 148.57 33.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.764 ' CE2' HD22 ' A' ' 79' ' ' LEU . 1.6 m-85 -114.92 131.48 56.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.868 HG23 HD11 ' A' ' 41' ' ' LEU . 4.6 mt -111.88 118.56 57.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.31 152.7 51.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.688 ' HA ' HD23 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -86.6 137.21 32.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.023 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.58 HG21 ' HG3' ' A' ' 40' ' ' GLN . 44.0 p -100.23 11.02 40.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.372 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.4 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 11.2 tp10 -109.16 -72.47 0.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 27.0 p -70.26 -63.08 1.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.403 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 126.49 41.21 0.33 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.49 1.118 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.511 HE21 HG22 ' A' ' 20' ' ' ILE . 6.6 mt-30 -127.04 161.0 29.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 0.789 . . . . 0.0 110.301 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 5.5 m-30 -104.48 146.54 28.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.687 ' HB2' HD11 ' A' ' 20' ' ' ILE . 5.8 tp -81.53 114.67 20.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.443 1.089 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -137.22 154.84 50.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.41 ' HE2' ' HB2' ' A' ' 62' ' ' MET . 20.7 tpp -106.12 136.74 45.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 0.0 110.982 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.521 ' OD2' ' CD2' ' A' ' 69' ' ' TYR . 0.5 OUTLIER -92.94 -169.69 2.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 76.7 p -77.46 -27.16 51.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.415 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.442 ' CB ' HD22 ' A' ' 67' ' ' LEU . 11.3 m-20 -69.57 -8.2 45.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 82.91 6.63 88.21 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.502 1.126 . . . . 0.0 111.025 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.442 HD22 ' CB ' ' A' ' 65' ' ' ASP . 0.5 OUTLIER -97.27 161.65 13.71 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 0.761 . . . . 0.0 109.34 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.3 mt -97.62 145.1 26.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.521 ' CD2' ' OD2' ' A' ' 63' ' ' ASP . 4.7 p90 -148.63 167.6 25.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.991 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -87.9 124.95 7.37 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.54 1.15 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.4 p -86.04 135.54 33.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 0.0 110.012 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.39 -26.82 46.64 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.58 1.175 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.4 p -135.41 159.41 71.79 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 110.378 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 108.19 2.66 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.502 1.79 . . . . 0.0 111.029 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -127.19 154.32 44.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -45.05 -29.87 0.96 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 110.304 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -57.41 -34.29 68.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.269 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 58.4 m -73.34 -20.13 60.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 108.279 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.764 HD22 ' CE2' ' A' ' 50' ' ' TYR . 2.3 tp -87.15 120.8 28.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.539 ' C ' HD13 ' A' ' 81' ' ' LEU . 9.2 m-85 -117.27 164.87 14.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.571 HD21 ' HA ' ' A' ' 95' ' ' LYS . 0.3 OUTLIER -103.79 126.03 50.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -108.75 149.95 28.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 110.329 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.04 164.47 34.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 110.298 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.22 105.84 17.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.601 ' OE2' ' CE1' ' A' ' 120' ' ' TYR . 3.9 mm-40 -98.07 161.38 13.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -59.4 -178.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 31.7 m-20 62.64 13.91 6.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.335 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 56.36 57.82 4.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.584 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.764 ' CD1' HD13 ' A' ' 128' ' ' LEU . 3.7 m-85 -137.91 156.42 47.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -112.46 156.02 23.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.496 HG21 ' HG3' ' A' ' 85' ' ' GLU . 76.4 p -129.3 170.58 13.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.395 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.443 ' CD1' ' O ' ' A' ' 91' ' ' THR . 45.0 m-85 -149.41 133.21 16.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.583 HD11 ' CE2' ' A' ' 103' ' ' PHE . 55.5 mt -131.31 147.86 32.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.8 t -71.55 138.51 48.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.047 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.571 ' HA ' HD21 ' A' ' 81' ' ' LEU . 2.3 tttt -73.39 -58.3 3.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -42.21 -28.44 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.263 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.613 ' CE1' ' CZ3' ' A' ' 102' ' ' TRP . 27.5 m-70 -102.42 -89.0 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.113 . . . . 0.0 109.596 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 97' ' ' HIS . . . 67.53 -68.84 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 97' ' ' HIS . 2.2 mt-10 -54.79 -24.58 23.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.565 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 10.9 mttt -77.41 -11.41 59.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 49.13 64.18 1.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.33 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.613 ' CZ3' ' CE1' ' A' ' 97' ' ' HIS . 49.3 m0 -112.64 132.74 55.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 107.993 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.583 ' CE2' HD11 ' A' ' 93' ' ' ILE . 65.0 m-85 -113.84 148.89 35.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.497 ' O ' ' C ' ' A' ' 105' ' ' GLY . 36.2 t -69.93 -24.98 27.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.534 ' HA2' ' CE1' ' A' ' 127' ' ' PHE . . . -30.02 142.55 0.02 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.517 1.135 . . . . 0.0 110.969 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.768 HD21 ' CD1' ' A' ' 18' ' ' LEU . 0.7 OUTLIER -106.77 159.27 16.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 0.76 . . . . 0.0 109.334 179.935 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 111' ' ' SER . 4.6 mtpt -68.38 -171.98 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.65 -9.19 23.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.261 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -90.72 21.68 3.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 63.02 41.28 99.91 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.447 1.092 . . . . 0.0 111.003 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 107' ' ' LYS . 0.7 OUTLIER -138.07 160.86 38.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.774 . . . . 0.0 110.021 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . 0.722 ' HA ' HD23 ' A' ' 106' ' ' LEU . 28.0 p -75.64 135.26 40.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 108.245 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.702 ' HD3' HG22 ' A' ' 118' ' ' THR . 6.6 tttt -90.48 112.93 24.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 113' ' ' LYS . 1.8 mpp_? -37.0 138.8 0.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.32 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.504 ' C ' ' H ' ' A' ' 117' ' ' ARG . . . -50.96 -55.93 16.34 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.515 1.134 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.419 ' CD ' ' N ' ' A' ' 115' ' ' GLY . 18.3 Cg_endo -74.96 32.16 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.498 1.789 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.504 ' H ' ' C ' ' A' ' 115' ' ' GLY . 5.7 mmt180 -142.42 22.39 2.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.341 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.702 HG22 ' HD3' ' A' ' 113' ' ' LYS . 6.0 p -118.72 167.2 11.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.368 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.669 ' O ' HD13 ' A' ' 125' ' ' ILE . 3.2 m80 -151.66 169.47 22.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.624 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.601 ' CE1' ' OE2' ' A' ' 85' ' ' GLU . 0.2 OUTLIER -89.84 128.47 36.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 111.041 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . 0.571 ' H ' HD11 ' A' ' 125' ' ' ILE . . . 100.26 26.69 8.13 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.485 1.115 . . . . 0.0 110.999 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -112.6 135.74 52.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.765 . . . . 0.0 110.257 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.537 ' HA ' HD12 ' A' ' 126' ' ' LEU . 0.1 OUTLIER -55.29 -19.59 8.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.01 -63.47 1.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.117 . . . . 0.0 109.271 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.669 HD13 ' O ' ' A' ' 119' ' ' HIS . 1.3 pt -57.55 -37.46 58.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.61 HD22 ' HB2' ' A' ' 89' ' ' TYR . 54.2 mt -59.93 102.71 0.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.534 ' CE1' ' HA2' ' A' ' 105' ' ' GLY . 2.4 m-30 -115.22 152.47 32.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 111.024 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.764 HD13 ' CD1' ' A' ' 89' ' ' TYR . 5.4 tp -128.97 121.17 20.66 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . 0.444 ' HA ' ' O ' ' A' ' 8' ' ' LEU . 18.4 Cg_endo -74.97 116.87 4.72 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.483 1.78 . . . . 0.0 111.058 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.509 ' CD2' ' O ' ' A' ' 128' ' ' LEU . 3.5 mm? -96.79 141.33 22.92 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 130' ' ' LEU . 18.3 Cg_endo -74.95 126.57 10.09 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.451 1.764 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.475 ' CG2' HD11 ' A' ' 8' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.503 ' O ' HG12 ' A' ' 132' ' ' VAL . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.943 0 N-CA-C 111.036 -0.409 . . . . 0.0 111.036 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.471 ' C ' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -145.76 155.97 43.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.568 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 0.4 OUTLIER -103.38 140.25 37.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.338 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.492 HD12 ' CD2' ' A' ' 127' ' ' PHE . 0.2 OUTLIER -91.55 104.46 16.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -83.59 120.01 25.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.992 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 15' ' ' GLY . 0.5 OUTLIER -106.14 78.76 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 108.305 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.459 ' HB3' ' CG ' ' A' ' 123' ' ' LYS . 4.2 t -38.46 -38.03 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.001 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.427 ' N ' ' HG2' ' A' ' 123' ' ' LYS . 53.3 t30 -40.24 -33.04 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.31 -45.47 0.06 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.55 1.156 . . . . 0.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.449 ' C ' ' ND1' ' A' ' 16' ' ' HIS . . . 103.62 63.38 0.69 Allowed Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.449 ' ND1' ' C ' ' A' ' 15' ' ' GLY . 2.4 m80 -143.77 156.02 44.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 0.754 . . . . 0.0 109.58 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.568 ' CD1' ' HB3' ' A' ' 8' ' ' LEU . 20.8 m-85 -103.85 143.47 32.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 110.962 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.776 ' CD1' HD21 ' A' ' 106' ' ' LEU . 11.2 tp -77.31 125.43 29.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.814 ' HB3' HG22 ' A' ' 37' ' ' ILE . 2.2 ptm180 -129.17 155.28 45.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.305 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.494 HD11 ' HB2' ' A' ' 60' ' ' LEU . 54.6 mt -124.47 113.94 38.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.827 HD12 ' HB ' ' A' ' 25' ' ' THR . 27.0 mt -72.43 156.89 89.92 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -5.06 16.32 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.49 1.784 . . . . 0.0 111.031 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.5 -15.71 26.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.12 44.07 1.95 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.533 1.146 . . . . 0.0 110.961 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.827 ' HB ' HD12 ' A' ' 21' ' ' LEU . 3.8 m -124.76 147.9 48.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.407 0.71 . . . . 0.0 110.39 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.3 t -129.27 118.79 47.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -147.98 161.35 41.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -84.48 147.37 23.15 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.46 1.1 . . . . 0.0 110.974 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.666 ' CG2' HG21 ' A' ' 37' ' ' ILE . 2.9 t -151.66 141.66 22.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 0.739 . . . . 0.0 110.452 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.439 ' HG2' ' CD2' ' A' ' 16' ' ' HIS . 0.6 OUTLIER -127.97 33.92 4.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 33' ' ' SER . 9.3 t0 -93.03 -14.41 27.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.464 ' O ' ' C ' ' A' ' 33' ' ' SER . 8.1 mtm180 65.9 -60.99 0.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.517 ' N ' ' O ' ' A' ' 31' ' ' ASP . 0.1 OUTLIER -34.52 -38.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.002 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.477 ' HB3' HG23 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -44.78 143.84 1.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -106.9 -29.71 9.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.28 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -63.88 -23.16 67.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.578 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.814 HG22 ' HB3' ' A' ' 19' ' ' ARG . 39.7 pt -66.93 -29.53 46.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -67.51 82.98 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.32 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 39.7 mt -96.6 146.95 24.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.35 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.843 ' HG2' HG22 ' A' ' 54' ' ' THR . 0.0 OUTLIER -105.21 114.61 28.91 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.472 1.108 . . . . 0.0 110.257 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.804 HD11 HG23 ' A' ' 51' ' ' ILE . 0.3 OUTLIER -92.21 136.43 33.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.412 ' O ' ' HA ' ' A' ' 49' ' ' VAL . 3.6 m -135.3 161.34 35.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.967 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -117.29 126.92 53.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.454 ' HG2' ' OG ' ' A' ' 45' ' ' SER . 0.3 OUTLIER -107.97 -45.18 4.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.291 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.454 ' OG ' ' HG2' ' A' ' 44' ' ' GLU . 0.9 OUTLIER -128.67 168.16 16.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.01 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.1 t -60.8 123.38 13.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.35 9.14 72.39 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.486 1.116 . . . . 0.0 111.018 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.426 ' HB3' HD11 ' A' ' 79' ' ' LEU . 9.0 mt-10 -114.41 134.77 54.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 0.778 . . . . 0.0 110.275 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.412 ' HA ' ' O ' ' A' ' 42' ' ' SER . 5.7 m -137.18 148.62 26.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.452 ' CD2' HD13 ' A' ' 79' ' ' LEU . 0.9 OUTLIER -117.09 131.61 56.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 110.99 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.804 HG23 HD11 ' A' ' 41' ' ' LEU . 12.5 mt -108.35 120.99 60.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.482 ' HB2' ' CD1' ' A' ' 59' ' ' TYR . 10.2 tttt -136.58 146.5 46.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.0 t -83.39 132.33 34.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.009 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.843 HG22 ' HG2' ' A' ' 40' ' ' GLN . 48.1 p -83.57 -17.76 40.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.382 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -81.78 -76.33 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.417 ' OG1' ' N ' ' A' ' 57' ' ' GLY . 37.5 p -67.22 -63.86 0.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.373 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.417 ' N ' ' OG1' ' A' ' 56' ' ' THR . . . 133.05 -20.98 4.2 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.36 -175.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 0.75 . . . . 0.0 110.329 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.482 ' CD1' ' HB2' ' A' ' 52' ' ' LYS . 97.6 m-85 -131.48 173.12 11.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.994 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.494 ' HB2' HD11 ' A' ' 20' ' ' ILE . 6.6 tp -105.43 113.57 27.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.551 ' HB2' ' SG ' ' A' ' 78' ' ' CYS . . . -137.79 147.67 44.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.593 ' O ' ' CE1' ' A' ' 97' ' ' HIS . 46.3 ttm -106.0 116.7 32.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 110.959 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.31 -165.52 0.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 72.0 p -78.96 -21.75 46.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.373 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.81 -14.84 63.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.64 -15.1 61.17 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.504 1.127 . . . . 0.0 110.99 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.2 mp -85.11 163.7 18.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 0.0 109.261 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.735 HD11 HG13 ' A' ' 104' ' ' VAL . 13.5 mt -98.07 145.6 26.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.348 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.462 ' CD1' ' C ' ' A' ' 69' ' ' TYR . 5.4 p90 -140.35 161.14 38.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -80.29 112.28 3.43 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.559 1.162 . . . . 0.0 111.03 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.45 116.86 28.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 0.769 . . . . 0.0 110.013 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.09 -57.87 8.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 110.336 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.3 p -106.13 157.56 34.55 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.434 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 120.74 6.2 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.502 1.79 . . . . 0.0 111.029 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 78' ' ' CYS . 54.2 p30 -127.27 159.26 34.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 109.341 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -49.29 -23.83 1.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.298 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -71.68 -20.87 61.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.321 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.551 ' SG ' ' HB2' ' A' ' 61' ' ' ALA . 49.8 m -83.61 -14.84 51.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 108.32 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.452 HD13 ' CD2' ' A' ' 50' ' ' TYR . 3.2 tp -83.28 127.66 33.83 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.559 1.162 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -128.93 164.87 22.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.153 . . . . 0.0 111.018 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.713 HD22 ' N ' ' A' ' 81' ' ' LEU . 0.1 OUTLIER -103.62 125.74 50.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.491 ' HG3' ' CE1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -107.55 146.26 32.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.72 161.28 42.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 110.323 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.638 HD13 ' N ' ' A' ' 85' ' ' GLU . 1.3 tm? -92.41 134.44 34.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.943 ' OE2' HG21 ' A' ' 91' ' ' THR . 8.5 mt-10 -127.06 165.46 19.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -60.8 179.91 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.087 . . . . 0.0 110.301 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.554 ' HB3' ' CD2' ' A' ' 89' ' ' TYR . 30.5 m-20 61.2 16.03 6.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 55.76 54.05 8.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.555 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.554 ' CD2' ' HB3' ' A' ' 87' ' ' ASN . 8.7 m-85 -130.79 170.07 14.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.983 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -120.36 170.03 9.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.943 HG21 ' OE2' ' A' ' 85' ' ' GLU . 1.1 p -144.11 141.52 30.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 110.391 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.491 ' CE1' ' HG3' ' A' ' 82' ' ' GLU . 91.0 m-85 -132.27 132.44 43.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.742 HD11 ' CE1' ' A' ' 103' ' ' PHE . 17.4 mt -130.36 143.82 39.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.538 ' O ' ' HB2' ' A' ' 98' ' ' ALA . 0.1 OUTLIER -70.13 137.78 51.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 110.027 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.76 -67.79 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.594 ' HB3' ' CD2' ' A' ' 97' ' ' HIS . 19.4 tttt -52.29 -25.18 8.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.594 ' CD2' ' HB3' ' A' ' 96' ' ' LYS . 0.1 OUTLIER -122.0 44.96 2.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.575 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.538 ' HB2' ' O ' ' A' ' 94' ' ' SER . . . -91.49 -47.22 7.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.345 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -57.46 -26.21 60.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.303 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.512 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 0.0 OUTLIER -78.46 -2.3 37.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.358 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 48.19 65.56 1.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.554 ' CD1' ' HA ' ' A' ' 116' ' ' PRO . 49.2 m0 -111.37 131.77 54.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 107.98 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.742 ' CE1' HD11 ' A' ' 93' ' ' ILE . 97.2 m-85 -110.77 148.84 31.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.735 HG13 HD11 ' A' ' 68' ' ' LEU . 69.1 t -65.01 -92.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.346 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.431 ' N ' HG12 ' A' ' 104' ' ' VAL . . . 52.89 169.79 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.488 1.117 . . . . 0.0 111.018 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.908 HD23 ' HA ' ' A' ' 112' ' ' CYS . 71.1 mt -138.08 159.67 41.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 0.761 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.01 -177.11 6.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.45 -14.91 51.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -86.87 -3.91 59.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.334 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 82.75 42.77 8.1 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.492 1.12 . . . . 0.0 111.04 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -136.96 151.74 49.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 0.766 . . . . 0.0 109.993 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . 0.908 ' HA ' HD23 ' A' ' 106' ' ' LEU . 7.4 m -66.3 135.94 55.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 108.291 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 114' ' ' ARG . 0.0 OUTLIER -89.55 130.78 35.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.283 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.449 ' C ' ' O ' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -34.74 128.9 0.45 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 110.333 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.59 ' N ' ' CD ' ' A' ' 116' ' ' PRO . . . -59.36 -45.85 94.8 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.562 1.164 . . . . 0.0 110.987 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' A' ' 115' ' ' GLY . 18.2 Cg_endo -75.01 7.14 3.0 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.552 1.817 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 8.2 mmt180 -125.6 47.07 2.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.296 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.409 HG22 ' CE ' ' A' ' 113' ' ' LYS . 4.1 p -125.32 168.56 13.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.349 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.423 ' HB2' ' NE2' ' A' ' 122' ' ' GLN . 52.9 m80 -144.74 160.31 41.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.553 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -90.4 133.06 35.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 97.93 11.11 50.88 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.531 1.144 . . . . 0.0 110.973 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.423 ' NE2' ' HB2' ' A' ' 119' ' ' HIS . 15.8 mt-30 -91.68 150.17 21.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 0.768 . . . . 0.0 110.275 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.459 ' CG ' ' HB3' ' A' ' 12' ' ' SER . 1.3 ttpt -74.03 -8.8 57.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.424 1.078 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.51 -62.7 1.58 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.516 HG22 ' CB ' ' A' ' 103' ' ' PHE . 6.5 pt -53.62 -39.49 38.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.437 HD23 HG23 ' A' ' 91' ' ' THR . 92.8 mt -63.12 130.87 46.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 109.333 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.492 ' CD2' HD12 ' A' ' 9' ' ' LEU . 0.5 OUTLIER -132.38 155.44 48.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.986 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.698 HD23 ' HD2' ' A' ' 129' ' ' PRO . 0.4 OUTLIER -131.85 114.06 15.22 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . 0.698 ' HD2' HD23 ' A' ' 128' ' ' LEU . 18.2 Cg_endo -75.03 115.69 4.36 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.528 1.804 . . . . 0.0 111.001 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.513 ' CD2' ' O ' ' A' ' 128' ' ' LEU . 3.4 mm? -92.93 141.47 24.23 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 109.287 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 109.74 2.99 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.497 1.788 . . . . 0.0 110.959 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.503 HG12 ' O ' ' A' ' 6' ' ' PRO . 5.1 p . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.877 0 N-CA-C 110.984 -0.429 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.33 158.86 43.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.453 ' O ' ' HA ' ' A' ' 129' ' ' PRO . 4.8 mt -108.07 141.53 39.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.486 HD22 ' N ' ' A' ' 9' ' ' LEU . 2.4 mm? -91.93 113.35 25.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.582 1.176 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.644 ' HB2' HD23 ' A' ' 130' ' ' LEU . 86.7 t80 -98.83 115.82 29.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 111.016 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 13' ' ' ASN . 12.7 t -88.92 88.52 7.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 108.28 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 11' ' ' CYS . 37.5 p -37.67 -31.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.984 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 11' ' ' CYS . 9.2 t-20 -43.95 -55.44 4.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.469 ' CA ' ' HG3' ' A' ' 108' ' ' LYS . . . -120.15 -33.51 1.04 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.504 1.128 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.469 ' HA2' ' CE1' ' A' ' 10' ' ' TYR . . . 93.89 57.23 1.33 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -123.77 164.87 18.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 0.752 . . . . 0.0 109.576 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -107.77 142.21 38.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 111.012 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.678 HD12 HD21 ' A' ' 106' ' ' LEU . 10.9 tp -78.46 112.25 15.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.865 ' HB3' HG22 ' A' ' 37' ' ' ILE . 5.3 ptm180 -115.84 149.74 38.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.312 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.64 HD11 ' HB2' ' A' ' 60' ' ' LEU . 20.8 mt -125.15 117.53 50.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.526 HD12 ' HB ' ' A' ' 25' ' ' THR . 20.1 mt -83.34 156.06 66.17 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -2.34 12.42 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.501 1.79 . . . . 0.0 110.994 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -95.61 2.79 54.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.36 45.12 8.25 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.523 1.14 . . . . 0.0 110.964 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.526 ' HB ' HD12 ' A' ' 21' ' ' LEU . 3.1 m -124.68 147.73 48.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 0.775 . . . . 0.0 110.353 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.1 t -132.35 119.75 40.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -145.79 161.08 40.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.72 136.68 13.0 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.504 1.128 . . . . 0.0 110.977 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.423 ' CG2' HG21 ' A' ' 37' ' ' ILE . 4.4 t -139.42 139.91 37.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 0.745 . . . . 0.0 110.425 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.6 ttt-85 -110.81 47.81 0.96 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.284 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -136.47 99.38 4.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.337 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.8 mtm180 -52.05 -28.54 17.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.31 -48.8 3.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.009 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.79 145.32 41.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' A' ' 38' ' ' GLN . 6.0 mm100 -106.14 -40.19 5.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.264 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.514 ' CD2' ' HG2' ' A' ' 55' ' ' GLU . 41.9 m80 -46.22 -28.8 1.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.604 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.865 HG22 ' HB3' ' A' ' 19' ' ' ARG . 13.9 pt -57.73 -40.6 76.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 35' ' ' GLN . 27.5 mt-30 -46.26 101.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.601 HD23 ' HA ' ' A' ' 53' ' ' SER . 17.4 mt -106.72 147.45 29.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.456 ' HB2' ' CG2' ' A' ' 54' ' ' THR . 0.0 OUTLIER -105.14 115.12 29.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 110.313 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.8 mp -100.53 136.28 40.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.142 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.415 ' O ' ' HA ' ' A' ' 49' ' ' VAL . 36.5 t -141.34 162.94 34.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 110.01 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -118.95 125.96 50.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.405 ' HG2' ' OG ' ' A' ' 45' ' ' SER . 0.4 OUTLIER -110.47 -40.81 4.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 110.3 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.405 ' OG ' ' HG2' ' A' ' 44' ' ' GLU . 0.8 OUTLIER -127.59 166.46 17.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.985 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 74.7 t -64.1 118.91 7.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.69 7.3 87.28 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.121 . . . . 0.0 110.997 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.785 ' HG2' HD23 ' A' ' 81' ' ' LEU . 23.8 mt-10 -115.28 135.36 54.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 0.777 . . . . 0.0 110.311 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.415 ' HA ' ' O ' ' A' ' 42' ' ' SER . 20.7 m -133.19 153.08 36.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -118.77 132.2 56.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 16.8 mt -113.27 122.09 66.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 26.6 ttpt -138.8 145.89 40.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.601 ' HA ' HD23 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -78.7 136.22 37.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.578 1.174 . . . . 0.0 110.025 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.456 ' CG2' ' HB2' ' A' ' 40' ' ' GLN . 61.6 p -91.46 -7.98 49.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 110.388 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.514 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.8 OUTLIER -94.59 -77.47 0.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.289 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 35.1 p -62.75 -61.8 2.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.407 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 118.46 43.05 0.56 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -120.22 162.9 18.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 0.756 . . . . 0.0 110.321 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -108.31 139.07 43.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.64 ' HB2' HD11 ' A' ' 20' ' ' ILE . 5.8 tp -77.37 115.92 17.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.498 ' HB2' ' SG ' ' A' ' 78' ' ' CYS . . . -135.89 154.82 51.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.425 ' HE2' ' HB2' ' A' ' 62' ' ' MET . 29.6 tpp -103.55 136.33 43.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 111.048 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.431 ' OD1' ' N ' ' A' ' 67' ' ' LEU . 0.9 OUTLIER -92.58 173.23 7.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 109.331 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 69.9 p -65.04 -22.22 66.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.359 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.478 ' HB3' HD13 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -74.68 -3.82 33.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.81 5.61 89.39 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.471 1.107 . . . . 0.0 111.03 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.478 HD13 ' HB3' ' A' ' 65' ' ' ASP . 4.0 mp -91.71 168.06 11.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 0.788 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 1.004 HD11 HG13 ' A' ' 104' ' ' VAL . 34.5 mt -108.01 138.61 43.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.554 ' CD1' ' C ' ' A' ' 69' ' ' TYR . 2.9 p90 -148.31 161.02 42.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.989 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -91.01 125.67 8.09 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.434 1.084 . . . . 0.0 111.018 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.6 t -91.76 139.67 30.45 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.46 0.741 . . . . 0.0 109.987 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.7 -37.27 85.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.256 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.9 p -124.55 160.36 53.67 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 110.421 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 105.13 2.02 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.504 1.791 . . . . 0.0 111.024 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -115.16 157.16 24.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.351 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.57 -32.1 5.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.276 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -59.31 -26.37 64.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.324 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.498 ' SG ' ' HB2' ' A' ' 61' ' ' ALA . 51.9 m -80.2 -16.39 54.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 108.298 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.589 HD11 ' HB3' ' A' ' 48' ' ' GLU . 2.4 tp -85.32 120.86 27.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.227 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -118.45 165.23 14.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 111.036 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.785 HD23 ' HG2' ' A' ' 48' ' ' GLU . 5.8 mt -103.66 120.58 41.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -109.31 145.95 35.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.081 . . . . 0.0 110.335 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.09 156.36 32.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 110.317 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.8 tt -92.68 120.12 32.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.488 ' OE1' ' CD2' ' A' ' 126' ' ' LEU . 0.0 OUTLIER -106.15 156.05 18.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.516 ' O ' ' CB ' ' A' ' 87' ' ' ASN . 32.8 mt-10 -65.66 97.44 0.32 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.457 1.098 . . . . 0.0 110.265 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.516 ' CB ' ' O ' ' A' ' 86' ' ' GLU . 0.7 OUTLIER 153.98 41.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.337 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.516 ' C ' ' O ' ' A' ' 87' ' ' ASN . 15.2 t-80 30.6 46.92 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.57 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.461 ' CE1' HD22 ' A' ' 128' ' ' LEU . 3.7 m-85 -145.25 163.44 34.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 111.036 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -123.4 159.25 29.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.2 p -130.41 158.19 40.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.379 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.443 ' HE2' HD12 ' A' ' 9' ' ' LEU . 46.0 m-85 -136.92 133.86 36.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 111.034 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.663 HD11 ' CE1' ' A' ' 103' ' ' PHE . 62.0 mt -135.79 152.38 30.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.03 139.02 46.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.987 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 23.4 tttt -70.23 -58.23 4.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.494 ' HB3' ' CD2' ' A' ' 97' ' ' HIS . 4.2 mttt -56.44 -25.48 50.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.531 ' CD2' ' N ' ' A' ' 97' ' ' HIS . 0.3 OUTLIER -123.74 50.93 1.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.605 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -83.63 -38.25 21.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.336 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -74.62 -17.06 60.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.511 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 33.5 mttt -78.52 -6.98 56.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.148 . . . . 0.0 109.261 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 48.56 64.05 1.84 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.511 ' CD1' ' O ' ' A' ' 100' ' ' LYS . 47.1 m0 -112.42 131.8 55.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 108.006 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.663 ' CE1' HD11 ' A' ' 93' ' ' ILE . 98.2 m-85 -114.49 148.75 37.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.959 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 1.004 HG13 HD11 ' A' ' 68' ' ' LEU . 88.9 t -66.83 -79.21 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' A' ' 104' ' ' VAL . . . 53.22 166.17 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.121 . . . . 0.0 111.0 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.81 HD23 ' HA ' ' A' ' 112' ' ' CYS . 42.8 mt -139.29 135.06 33.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 0.772 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.566 ' N ' ' O ' ' A' ' 111' ' ' SER . 0.0 OUTLIER -67.63 149.26 50.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.573 1.171 . . . . 0.0 109.303 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.469 ' HG3' ' CA ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER -65.53 -9.76 29.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -84.97 -3.07 58.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 85.82 39.09 8.28 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.448 1.093 . . . . 0.0 110.969 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.566 ' O ' ' N ' ' A' ' 107' ' ' LYS . 74.4 m -136.04 168.03 20.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 0.763 . . . . 0.0 110.038 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . 0.81 ' HA ' HD23 ' A' ' 106' ' ' LEU . 23.0 p -83.03 135.69 34.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 108.256 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.525 ' HD3' HG22 ' A' ' 118' ' ' THR . 0.6 OUTLIER -89.6 124.61 34.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.41 152.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.325 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.484 ' C ' ' H ' ' A' ' 117' ' ' ARG . . . -72.36 -55.7 6.71 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.504 1.128 . . . . 0.0 110.971 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.422 ' HB3' ' NE1' ' A' ' 102' ' ' TRP . 18.1 Cg_endo -75.03 36.48 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.521 1.801 . . . . 0.0 111.03 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.484 ' H ' ' C ' ' A' ' 115' ' ' GLY . 2.6 mmt-85 -142.6 18.04 2.01 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.525 HG22 ' HD3' ' A' ' 113' ' ' LYS . 1.7 p -118.54 166.9 12.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 110.392 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -169.53 166.63 10.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.575 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -73.09 133.64 44.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 110.946 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 118.71 -25.79 7.88 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -76.34 149.24 37.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 110.317 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 18.7 tttt -93.01 26.5 2.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -100.86 -47.68 4.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 8.2 pt -58.7 -36.88 62.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.28 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.488 ' CD2' ' OE1' ' A' ' 85' ' ' GLU . 50.3 mt -55.11 127.49 29.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -138.32 146.27 42.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 111.05 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.678 ' O ' HD22 ' A' ' 130' ' ' LEU . 6.1 tp -133.02 114.88 14.0 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . 0.453 ' HA ' ' O ' ' A' ' 8' ' ' LEU . 18.4 Cg_endo -74.99 109.49 2.94 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.49 1.784 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.678 HD22 ' O ' ' A' ' 128' ' ' LEU . 2.9 mm? -91.38 132.8 32.75 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 130' ' ' LEU . 18.3 Cg_endo -75.03 104.42 1.9 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.499 1.789 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 8.1 p . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.99 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.0 tpp . . . . . 0 N--CA 1.454 -0.248 0 CA-C-O 120.502 0.191 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -145.36 123.93 12.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -134.3 97.64 3.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 49.07 72.5 0.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.9 mtpp -155.99 87.01 3.06 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 164.47 33.32 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.437 1.756 . . . . 0.0 111.043 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.588 ' HG2' HD13 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -140.22 170.27 16.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.467 ' O ' ' HA ' ' A' ' 129' ' ' PRO . 0.3 OUTLIER -118.03 149.32 41.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.337 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.47 HD11 HD13 ' A' ' 51' ' ' ILE . 24.9 mt -91.66 104.29 16.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.518 ' HB2' HD23 ' A' ' 130' ' ' LEU . 62.1 t80 -86.75 148.13 25.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 111.042 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.468 ' O ' ' C ' ' A' ' 12' ' ' SER . 44.2 t -128.3 78.31 1.83 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 108.301 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.468 ' C ' ' O ' ' A' ' 11' ' ' CYS . 2.5 p -34.44 -37.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.018 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 11' ' ' CYS . 13.2 t30 -40.2 -52.0 2.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.356 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -121.89 -37.02 0.68 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.474 1.109 . . . . 0.0 110.971 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.453 ' C ' ' ND1' ' A' ' 16' ' ' HIS . . . 93.67 77.77 1.38 Allowed Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.453 ' ND1' ' C ' ' A' ' 15' ' ' GLY . 47.9 m80 -154.15 160.86 42.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 0.789 . . . . 0.0 109.63 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.463 ' CE2' HD13 ' A' ' 8' ' ' LEU . 20.3 m-85 -101.81 139.79 36.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 111.015 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.791 ' CD1' HD21 ' A' ' 106' ' ' LEU . 8.6 tp -79.49 120.5 23.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.35 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.881 ' HB3' HG22 ' A' ' 37' ' ' ILE . 5.2 ptm180 -118.28 154.64 31.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 110.293 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.592 ' O ' ' CE1' ' A' ' 36' ' ' HIS . 4.5 mt -124.73 127.32 72.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.498 HD12 ' HB ' ' A' ' 25' ' ' THR . 18.6 mt -94.84 157.41 36.83 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.253 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.408 ' HB3' ' CG2' ' A' ' 56' ' ' THR . 18.4 Cg_endo -74.99 0.28 9.1 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.509 1.794 . . . . 0.0 111.013 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -98.49 5.19 48.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.5 45.61 10.88 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.481 1.113 . . . . 0.0 111.021 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.498 ' HB ' HD12 ' A' ' 21' ' ' LEU . 2.3 m -125.7 147.66 49.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 0.787 . . . . 0.0 110.376 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.2 t -133.94 120.88 37.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.339 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -146.8 162.27 38.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -90.77 159.44 26.84 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.426 ' N ' ' HB3' ' A' ' 16' ' ' HIS . 2.5 t -170.92 137.16 1.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 0.782 . . . . 0.0 110.424 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.0 42.04 1.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.35 94.66 4.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.453 ' HA ' HD11 ' A' ' 37' ' ' ILE . 0.8 OUTLIER -49.81 -31.96 12.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.122 . . . . 0.0 110.242 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.0 t -52.02 -39.6 59.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.029 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.53 ' CG ' HG23 ' A' ' 37' ' ' ILE . 50.7 t0 -43.5 119.92 1.78 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -93.82 73.78 4.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 110.281 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.619 ' NE2' HG23 ' A' ' 56' ' ' THR . 1.1 t-80 -178.79 -40.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.57 1.169 . . . . 0.0 109.568 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.881 HG22 ' HB3' ' A' ' 19' ' ' ARG . 28.3 pt -46.23 -25.86 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.418 ' HG2' HG11 ' A' ' 132' ' ' VAL . 51.9 mt-30 -64.36 100.5 0.36 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 55.0 mt -111.77 147.41 35.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.472 ' HB2' ' CG2' ' A' ' 54' ' ' THR . 0.5 OUTLIER -105.33 114.61 28.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 110.304 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.588 HD13 ' HG2' ' A' ' 7' ' ' LYS . 4.3 mp -92.77 135.64 33.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.249 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.418 ' O ' ' HA ' ' A' ' 49' ' ' VAL . 6.1 m -138.21 155.64 48.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.566 1.166 . . . . 0.0 109.993 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -109.4 125.54 52.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.451 ' HG2' ' OG ' ' A' ' 45' ' ' SER . 0.4 OUTLIER -107.24 -44.68 4.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.312 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.451 ' OG ' ' HG2' ' A' ' 44' ' ' GLU . 0.7 OUTLIER -128.34 167.23 17.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.976 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.7 p -60.02 122.29 9.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.81 21.37 76.57 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.779 ' HB3' HD11 ' A' ' 79' ' ' LEU . 7.8 mt-10 -125.06 137.08 54.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 0.766 . . . . 0.0 110.289 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.499 ' O ' HD12 ' A' ' 79' ' ' LEU . 32.6 m -135.21 151.26 30.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.257 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.516 ' CZ ' ' HB2' ' A' ' 79' ' ' LEU . 0.6 OUTLIER -116.51 132.47 56.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.47 HD13 HD11 ' A' ' 9' ' ' LEU . 11.1 mt -117.71 116.86 53.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.548 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -141.38 152.96 44.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.422 ' OG ' ' CE1' ' A' ' 36' ' ' HIS . 0.1 OUTLIER -84.34 136.89 33.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 110.012 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.472 ' CG2' ' HB2' ' A' ' 40' ' ' GLN . 20.9 p -100.91 11.24 39.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.423 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -103.28 -54.83 2.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.306 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.619 HG23 ' NE2' ' A' ' 36' ' ' HIS . 12.7 p -92.57 -51.45 5.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.384 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 117.48 35.57 1.07 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.451 1.094 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -112.13 156.15 22.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 0.755 . . . . 0.0 110.315 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.548 ' CD1' ' HG2' ' A' ' 52' ' ' LYS . 2.6 m-30 -107.02 139.87 40.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 111.031 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.48 HD11 HD21 ' A' ' 18' ' ' LEU . 5.0 tp -77.48 113.21 15.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.085 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.498 ' HB2' ' SG ' ' A' ' 78' ' ' CYS . . . -136.34 152.1 50.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 42.7 ttm -107.92 115.98 31.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 111.059 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.94 -163.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 69.2 p -84.36 -18.15 37.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.442 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -75.66 -9.23 58.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.436 ' HA3' ' CD ' ' A' ' 116' ' ' PRO . . . 87.93 -14.38 58.88 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.423 ' CD1' ' HG3' ' A' ' 114' ' ' ARG . 2.4 mp -77.76 158.69 29.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 0.779 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.646 HD11 HG13 ' A' ' 104' ' ' VAL . 5.7 mt -95.91 144.68 26.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.565 ' CD1' ' C ' ' A' ' 69' ' ' TYR . 1.9 p90 -154.38 160.91 41.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -87.37 121.75 5.95 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.5 t -86.74 139.47 30.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 0.74 . . . . 0.0 110.057 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -69.83 -33.88 72.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.312 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.6 p -123.96 159.49 56.16 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.433 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 112.02 3.46 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.48 1.779 . . . . 0.0 110.984 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -126.79 152.92 46.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -47.64 -25.82 1.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -63.13 -30.15 71.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.309 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.498 ' SG ' ' HB2' ' A' ' 61' ' ' ALA . 58.2 m -76.32 -23.04 54.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 108.315 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.779 HD11 ' HB3' ' A' ' 48' ' ' GLU . 23.1 tp -87.78 131.42 34.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 0.0 109.257 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.484 ' C ' HD13 ' A' ' 81' ' ' LEU . 10.0 m-85 -126.37 164.64 20.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 111.02 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.883 HD22 ' O ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -104.04 126.39 51.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.253 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.09 140.87 42.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.331 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.58 166.59 24.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 0.0 110.324 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.403 HD22 ' HA ' ' A' ' 84' ' ' LEU . 1.5 tm? -98.49 108.89 21.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -99.75 161.0 13.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 110.3 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 87' ' ' ASN . 2.9 mt-10 -62.75 169.44 3.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.278 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 86' ' ' GLU . 2.1 t30 81.5 -2.94 1.65 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 72.96 54.86 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.576 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.585 ' HB2' HD22 ' A' ' 126' ' ' LEU . 3.9 m-85 -143.56 151.6 40.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 111.028 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -105.31 153.89 21.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.415 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 4.0 p -125.37 169.05 12.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.436 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.415 ' CD1' ' O ' ' A' ' 91' ' ' THR . 37.3 m-85 -146.35 133.11 20.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 111.027 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.883 ' O ' HD22 ' A' ' 81' ' ' LEU . 57.1 mt -131.29 138.77 52.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.0 t -68.5 138.33 55.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.999 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.473 ' HG3' HD11 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -64.86 -74.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.496 ' HB3' ' CD2' ' A' ' 97' ' ' HIS . 0.8 OUTLIER -42.8 -28.48 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.541 ' CD2' ' N ' ' A' ' 97' ' ' HIS . 0.3 OUTLIER -124.37 58.84 1.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 109.605 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.426 ' HA ' ' CG2' ' A' ' 93' ' ' ILE . . . -92.26 -45.01 8.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -66.7 -14.91 63.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.28 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.583 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 11.5 mttt -79.21 -5.55 54.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 49.52 63.94 1.96 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.583 ' CD1' ' O ' ' A' ' 100' ' ' LYS . 49.9 m0 -113.06 132.06 55.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 108.013 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.565 ' CE2' HD11 ' A' ' 93' ' ' ILE . 81.7 m-85 -118.16 148.74 42.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.646 HG13 HD11 ' A' ' 68' ' ' LEU . 43.1 t -88.31 94.69 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.269 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.425 ' HA2' ' CE1' ' A' ' 127' ' ' PHE . . . -132.29 169.39 22.24 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.453 1.096 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.984 HD23 ' HA ' ' A' ' 112' ' ' CYS . 1.2 mt -132.73 159.82 38.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 0.772 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 10.0 mttm -84.73 -171.9 3.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.259 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.69 -16.85 43.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.122 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -88.09 6.19 37.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.458 1.099 . . . . 0.0 109.245 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 73.72 38.22 50.62 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.506 1.129 . . . . 0.0 110.967 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.411 ' O ' ' HA ' ' A' ' 106' ' ' LEU . 6.9 m -116.14 147.43 41.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 0.77 . . . . 0.0 110.0 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . 0.984 ' HA ' HD23 ' A' ' 106' ' ' LEU . 25.6 p -66.76 135.16 53.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 108.302 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.496 ' HD3' HG22 ' A' ' 118' ' ' THR . 12.5 tttp -90.3 115.52 27.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.437 ' CB ' ' HG3' ' A' ' 117' ' ' ARG . 2.7 mpp_? -36.97 141.24 0.13 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 0.0 110.266 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.464 ' C ' ' H ' ' A' ' 117' ' ' ARG . . . -57.97 -57.54 19.3 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.495 1.122 . . . . 0.0 110.961 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.436 ' CD ' ' HA3' ' A' ' 66' ' ' GLY . 18.3 Cg_endo -74.97 39.99 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.534 1.807 . . . . 0.0 111.042 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.464 ' H ' ' C ' ' A' ' 115' ' ' GLY . 2.5 mmt-85 -144.02 18.0 1.77 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 110.33 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.496 HG22 ' HD3' ' A' ' 113' ' ' LYS . 1.8 p -114.65 157.7 22.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.406 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.488 ' N ' ' NE2' ' A' ' 122' ' ' GLN . 0.1 OUTLIER -163.48 175.43 10.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.595 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -79.73 136.61 36.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 108.03 -8.45 36.15 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.501 1.126 . . . . 0.0 110.999 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.488 ' NE2' ' N ' ' A' ' 119' ' ' HIS . 60.3 mt-30 -90.43 150.92 21.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 0.75 . . . . 0.0 110.349 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.436 ' HD3' HD12 ' A' ' 126' ' ' LEU . 1.2 tppm? -92.59 11.28 27.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -91.09 -42.13 10.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 2.4 pt -67.0 -40.89 86.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.585 HD22 ' HB2' ' A' ' 89' ' ' TYR . 43.7 mt -61.01 109.86 1.19 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.518 ' CZ ' ' O ' ' A' ' 104' ' ' VAL . 1.3 m-30 -120.27 144.5 47.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 0.0 111.049 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.755 ' O ' HD22 ' A' ' 130' ' ' LEU . 8.8 tp -125.53 111.85 25.6 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . 0.467 ' HA ' ' O ' ' A' ' 8' ' ' LEU . 18.2 Cg_endo -75.0 106.97 2.38 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.511 1.796 . . . . 0.0 110.983 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.755 HD22 ' O ' ' A' ' 128' ' ' LEU . 2.3 mm? -89.1 145.51 34.5 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 130' ' ' LEU . 18.2 Cg_endo -75.06 134.9 18.27 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.484 1.781 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.418 HG11 ' HG2' ' A' ' 38' ' ' GLN . 1.4 p -135.27 156.15 38.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 4.2 t 62.66 117.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.969 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 4.2 t -114.91 135.76 53.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.961 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . 0.404 ' O ' ' O ' ' A' ' 136' ' ' LEU . 0.5 OUTLIER -129.79 109.57 11.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.334 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.404 ' O ' ' O ' ' A' ' 135' ' ' ASP . 2.0 mm? -55.48 -168.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 42.63 83.39 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -117.44 113.15 21.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.618 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 51.8 m80 -117.92 171.79 7.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.597 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -128.73 173.48 10.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.593 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -86.72 135.79 33.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.604 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -101.21 142.65 32.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.583 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 5.0 m80 . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 0.0 109.566 -179.997 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.2 ttp . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.487 0.184 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -151.23 86.6 1.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.437 ' CD1' ' C ' ' A' ' 3' ' ' TYR . 3.0 p90 -42.05 135.81 2.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 111.049 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -173.64 106.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.94 85.53 0.5 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.481 ' O ' HG12 ' A' ' 132' ' ' VAL . 18.5 Cg_endo -74.93 159.74 41.23 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.515 1.797 . . . . 0.0 111.01 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.521 ' C ' HD13 ' A' ' 8' ' ' LEU . 1.2 mppt? -145.18 164.23 31.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.573 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 0.4 OUTLIER -103.44 140.65 37.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 109.263 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.568 HD22 ' N ' ' A' ' 9' ' ' LEU . 2.1 mm? -92.5 104.29 16.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.255 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.506 ' HB2' HD23 ' A' ' 130' ' ' LEU . 34.0 t80 -78.82 148.79 32.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.981 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 13' ' ' ASN . 42.2 t -134.32 76.25 1.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 108.306 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -36.97 -32.93 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.015 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.537 ' ND2' ' HB2' ' A' ' 124' ' ' ALA . 7.5 t30 -44.34 -50.18 9.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -123.61 -36.84 0.62 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 11' ' ' CYS . . . 94.38 72.98 1.19 Allowed Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.457 ' CD2' ' HB2' ' A' ' 30' ' ' ARG . 47.9 m80 -154.4 164.75 38.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.458 0.74 . . . . 0.0 109.612 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.573 ' CD1' ' HB3' ' A' ' 8' ' ' LEU . 20.4 m-85 -107.73 143.21 36.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.919 ' CD1' HD21 ' A' ' 106' ' ' LEU . 14.3 tp -77.16 122.5 25.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.795 ' HB3' HG22 ' A' ' 37' ' ' ILE . 2.1 ptm180 -123.81 154.12 40.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.279 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.532 HD11 ' HB2' ' A' ' 60' ' ' LEU . 60.0 mt -124.48 114.79 42.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.843 HD12 ' HB ' ' A' ' 25' ' ' THR . 23.4 mt -75.3 156.84 85.38 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -2.79 13.0 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.496 1.787 . . . . 0.0 111.012 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -94.03 -15.08 25.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.74 40.32 2.74 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.843 ' HB ' HD12 ' A' ' 21' ' ' LEU . 5.9 m -120.6 147.78 44.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 0.75 . . . . 0.0 110.399 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.3 t -131.55 116.76 32.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -148.23 161.98 40.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.13 157.92 35.72 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.582 ' CG2' HG21 ' A' ' 37' ' ' ILE . 4.8 t -157.68 132.33 8.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 0.735 . . . . 0.0 110.382 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.457 ' HB2' ' CD2' ' A' ' 16' ' ' HIS . 18.2 ttt180 -105.65 48.54 0.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -140.05 98.42 3.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.16 -38.06 49.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 110.254 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.29 -35.92 0.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.995 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.725 ' OD2' HG23 ' A' ' 37' ' ' ILE . 66.3 t0 -57.37 135.65 56.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.574 1.171 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -106.63 -5.22 18.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.331 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 27.8 m80 -89.29 -0.2 57.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.092 . . . . 0.0 109.584 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.795 HG22 ' HB3' ' A' ' 19' ' ' ARG . 14.7 pt -92.74 -22.39 5.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -60.91 89.78 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 110.312 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.555 HD23 ' HA ' ' A' ' 53' ' ' SER . 80.6 mt -98.82 146.14 26.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.357 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.744 ' HG2' HG22 ' A' ' 54' ' ' THR . 0.3 OUTLIER -105.55 114.79 29.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.315 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.2 mp -93.48 136.39 33.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.409 ' O ' ' HA ' ' A' ' 49' ' ' VAL . 1.7 m -137.8 160.12 40.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.999 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -119.92 124.56 46.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.415 ' HG2' ' OG ' ' A' ' 45' ' ' SER . 0.3 OUTLIER -100.64 -47.61 4.79 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 110.308 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.415 ' OG ' ' HG2' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -128.27 166.84 17.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.986 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.433 HG12 ' H ' ' A' ' 46' ' ' VAL . 2.0 p -67.4 104.83 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.91 4.73 48.16 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.488 1.117 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.803 ' OE1' HD21 ' A' ' 79' ' ' LEU . 22.4 mt-10 -119.47 143.29 47.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 0.743 . . . . 0.0 110.267 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.415 ' O ' HD12 ' A' ' 79' ' ' LEU . 12.7 m -139.56 150.77 22.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -118.99 132.32 56.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 11.2 mt -115.62 118.23 58.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.473 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -135.33 153.17 51.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.346 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.555 ' HA ' HD23 ' A' ' 39' ' ' LEU . 33.5 m -84.27 133.02 34.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.744 HG22 ' HG2' ' A' ' 40' ' ' GLN . 69.8 p -84.94 -27.53 26.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.406 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -76.65 -79.25 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.329 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 76.4 p -63.14 -53.32 55.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.393 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 120.41 -19.43 9.21 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.16 162.51 0.68 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 0.784 . . . . 0.0 110.266 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.473 ' CD1' ' HG2' ' A' ' 52' ' ' LYS . 10.1 m-30 -113.84 141.19 47.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.719 HD11 HD21 ' A' ' 18' ' ' LEU . 6.6 tp -76.91 113.02 14.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -140.09 148.21 41.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 42.5 ttm -106.81 117.16 33.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.955 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -69.93 -159.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 10.1 p -86.24 -28.24 23.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.412 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.578 ' CB ' HD12 ' A' ' 67' ' ' LEU . 48.1 m-20 -62.53 -12.56 23.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.42 ' HA3' ' CD ' ' A' ' 116' ' ' PRO . . . 86.38 8.07 78.43 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.48 1.113 . . . . 0.0 110.975 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.578 HD12 ' CB ' ' A' ' 65' ' ' ASP . 4.3 mp -96.94 171.49 8.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 0.74 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.76 HD11 HG13 ' A' ' 104' ' ' VAL . 36.4 mt -110.18 137.83 47.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.243 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.53 ' CD1' ' C ' ' A' ' 69' ' ' TYR . 4.0 p90 -147.57 166.32 27.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 111.003 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -92.29 122.11 6.72 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.447 1.092 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.0 t -88.02 139.83 30.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 0.744 . . . . 0.0 110.039 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -71.57 -33.72 69.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.339 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.6 p -125.23 160.53 54.53 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 110.373 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 112.57 3.59 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.452 1.764 . . . . 0.0 110.95 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.405 ' O ' ' N ' ' A' ' 78' ' ' CYS . 5.0 m-20 -126.33 154.66 43.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -45.99 -26.66 0.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -61.61 -33.67 74.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.405 ' N ' ' O ' ' A' ' 75' ' ' ASN . 57.0 m -72.88 -16.67 61.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 108.291 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.803 HD21 ' OE1' ' A' ' 48' ' ' GLU . 8.8 tp -88.24 130.06 35.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.373 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.411 ' HA ' ' O ' ' A' ' 93' ' ' ILE . 19.1 m-85 -129.55 164.92 22.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.63 HD21 ' HA ' ' A' ' 95' ' ' LYS . 0.4 OUTLIER -103.67 127.15 51.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -109.25 145.76 35.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.269 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -150.9 166.33 30.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.307 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.402 HD13 ' C ' ' A' ' 84' ' ' LEU . 1.8 tm? -94.75 116.21 28.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.503 ' OE1' ' CD2' ' A' ' 126' ' ' LEU . 3.7 mt-10 -104.99 161.54 14.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 110.271 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -59.96 -179.83 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 38.2 m-20 60.05 16.84 6.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 56.13 66.16 1.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.612 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.457 ' CG ' ' HB3' ' A' ' 126' ' ' LEU . 13.4 m-85 -143.42 168.23 20.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.952 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -119.73 155.97 31.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.481 ' CG2' ' HG3' ' A' ' 85' ' ' GLU . 1.0 OUTLIER -125.9 162.21 25.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.403 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -145.72 132.72 20.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.164 . . . . 0.0 111.002 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 1.017 HD11 ' CE2' ' A' ' 103' ' ' PHE . 24.8 mt -136.28 138.25 47.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.6 t -58.4 138.28 56.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.983 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.63 ' HA ' HD21 ' A' ' 81' ' ' LEU . 2.2 tttt -78.05 -50.86 11.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.06 -25.31 0.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.547 ' CE1' ' CZ3' ' A' ' 102' ' ' TRP . 30.5 m-70 -105.38 -90.88 0.4 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.596 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 97' ' ' HIS . . . 69.06 -63.24 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 97' ' ' HIS . 6.9 mt-10 -58.42 -17.02 17.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.138 . . . . 0.0 110.315 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.588 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 14.6 mttt -88.97 -7.77 55.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 45.8 64.4 1.47 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.588 ' CD1' ' O ' ' A' ' 100' ' ' LYS . 52.0 m0 -112.14 131.05 55.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 107.973 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 1.017 ' CE2' HD11 ' A' ' 93' ' ' ILE . 84.6 m-85 -112.65 146.89 37.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.76 HG13 HD11 ' A' ' 68' ' ' LEU . 73.6 t -61.29 -90.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.561 ' HA2' ' CE1' ' A' ' 127' ' ' PHE . . . 54.57 168.17 0.04 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.447 1.092 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.984 HD23 ' HA ' ' A' ' 112' ' ' CYS . 13.0 mt -137.6 129.36 28.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 0.765 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 111' ' ' SER . 2.6 mtmp? -52.11 -176.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -88.09 -8.1 55.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -89.34 8.97 27.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 74.51 20.1 79.67 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 107' ' ' LYS . 63.0 m -114.07 166.91 11.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.443 0.731 . . . . 0.0 110.006 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . 0.984 ' HA ' HD23 ' A' ' 106' ' ' LEU . 13.6 p -74.17 136.43 42.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 108.342 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 114' ' ' ARG . 0.6 OUTLIER -89.27 123.97 33.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.123 . . . . 0.0 109.306 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.442 ' CB ' ' HG3' ' A' ' 117' ' ' ARG . 0.9 OUTLIER -37.37 146.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.312 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.472 ' C ' ' H ' ' A' ' 117' ' ' ARG . . . -66.56 -55.91 15.65 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.488 1.118 . . . . 0.0 110.976 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.42 ' CD ' ' HA3' ' A' ' 66' ' ' GLY . 18.3 Cg_endo -75.03 39.02 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.508 1.794 . . . . 0.0 110.991 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.472 ' H ' ' C ' ' A' ' 115' ' ' GLY . 7.2 mmt180 -142.93 17.64 1.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.28 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.509 HG21 ' HB2' ' A' ' 103' ' ' PHE . 1.3 p -114.73 164.44 14.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.419 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -171.67 166.62 6.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.589 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -73.58 127.54 33.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 122.93 -19.78 7.76 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.439 1.087 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -79.83 148.61 31.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 0.754 . . . . 0.0 110.263 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 4.7 ttmm -90.38 18.65 5.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.537 ' HB2' ' ND2' ' A' ' 13' ' ' ASN . . . -94.96 -51.06 4.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.4 pt -55.09 -28.42 20.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.503 ' CD2' ' OE1' ' A' ' 85' ' ' GLU . 21.4 mt -64.98 105.38 1.02 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 109.347 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.561 ' CE1' ' HA2' ' A' ' 105' ' ' GLY . 0.6 OUTLIER -121.09 135.77 55.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.583 1.177 . . . . 0.0 110.983 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.684 HD23 ' HD2' ' A' ' 129' ' ' PRO . 0.7 OUTLIER -119.84 113.78 34.34 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . 0.684 ' HD2' HD23 ' A' ' 128' ' ' LEU . 18.3 Cg_endo -75.06 112.51 3.58 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.537 1.809 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.541 HD22 ' O ' ' A' ' 128' ' ' LEU . 3.8 mm? -92.72 140.79 23.85 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 130' ' ' LEU . 18.1 Cg_endo -75.01 140.11 25.03 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.498 1.789 . . . . 0.0 110.942 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.481 HG12 ' O ' ' A' ' 6' ' ' PRO . 5.2 p -143.58 149.84 17.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.564 1.165 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 10.4 t 62.17 138.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.994 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 9.4 m -59.25 165.18 2.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.107 . . . . 0.0 109.99 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -74.19 -42.21 60.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.413 ' O ' ' CB ' ' A' ' 137' ' ' GLU . 0.0 OUTLIER 46.92 -170.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.413 ' CB ' ' O ' ' A' ' 136' ' ' LEU . 0.0 OUTLIER 79.53 131.13 0.05 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -114.72 102.0 9.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.627 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.54 154.85 2.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.602 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -143.61 -53.3 0.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.614 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 71.32 -68.04 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.59 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 67.63 176.5 0.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.623 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 15.9 p-80 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.61 -179.982 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.0 mtt . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.498 0.19 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 57.49 169.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -146.29 37.4 1.03 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -123.56 -76.03 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 64.48 158.35 0.12 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 109.339 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 161.46 38.72 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.476 1.777 . . . . 0.0 111.016 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.48 ' HG2' HD22 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -142.49 172.35 12.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.554 HD22 HD12 ' A' ' 37' ' ' ILE . 0.3 OUTLIER -115.09 146.12 41.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -91.76 104.97 17.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.411 ' HB3' ' CB ' ' A' ' 128' ' ' LEU . 44.8 t80 -84.79 113.75 21.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 111.046 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.456 ' O ' ' N ' ' A' ' 15' ' ' GLY . 41.3 t -88.65 76.12 8.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 108.3 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 11' ' ' CYS . 15.3 p -35.6 -35.03 0.05 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.557 1.16 . . . . 0.0 109.977 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 11' ' ' CYS . 13.3 t-20 -42.48 -52.82 4.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -120.69 -36.18 0.8 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.47 1.106 . . . . 0.0 111.046 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 11' ' ' CYS . . . 97.33 74.03 1.17 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.422 ' ND1' ' C ' ' A' ' 15' ' ' GLY . 42.7 m80 -151.11 161.7 42.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 0.763 . . . . 0.0 109.6 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.417 ' HE1' HD12 ' A' ' 130' ' ' LEU . 24.5 m-85 -105.51 142.69 34.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.785 ' CD1' HD21 ' A' ' 106' ' ' LEU . 8.6 tp -77.99 126.07 30.28 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.883 ' HB3' HG22 ' A' ' 37' ' ' ILE . 3.1 ptm180 -126.59 153.1 45.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.541 HD11 ' HB2' ' A' ' 60' ' ' LEU . 74.2 mt -124.75 118.7 54.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.793 HD12 ' HB ' ' A' ' 25' ' ' THR . 22.8 mt -80.79 157.01 72.35 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.576 1.172 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 -4.18 15.01 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.496 1.787 . . . . 0.0 110.97 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -91.17 -18.2 24.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 104.26 40.89 2.16 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.536 1.147 . . . . 0.0 111.037 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.793 ' HB ' HD12 ' A' ' 21' ' ' LEU . 5.2 m -119.93 147.24 44.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 0.749 . . . . 0.0 110.434 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.7 t -132.2 118.01 34.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.335 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -148.09 162.64 38.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.348 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -90.48 148.1 19.42 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 110.973 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 t -154.25 137.14 15.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 110.398 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.5 ttt-85 -109.44 53.94 0.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.268 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -136.66 86.39 2.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.153 . . . . 0.0 109.26 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.16 -32.85 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.8 t -41.52 -51.45 3.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 109.992 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.01 149.45 1.89 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -115.26 -13.01 11.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.281 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.565 ' CE1' ' HG2' ' A' ' 55' ' ' GLU . 34.3 m80 -76.77 -13.65 60.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.613 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.883 HG22 ' HB3' ' A' ' 19' ' ' ARG . 39.4 pt -76.64 -29.84 18.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -55.98 89.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.631 HD23 ' HA ' ' A' ' 53' ' ' SER . 32.0 mt -97.29 144.5 27.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.47 ' HB2' ' CG2' ' A' ' 54' ' ' THR . 0.0 OUTLIER -105.79 114.27 28.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.127 . . . . 0.0 110.313 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.857 HD11 HG23 ' A' ' 51' ' ' ILE . 0.3 OUTLIER -93.28 135.26 34.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.289 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.421 ' O ' ' HA ' ' A' ' 49' ' ' VAL . 0.3 OUTLIER -135.31 160.96 36.75 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 0.0 109.994 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -123.19 129.3 51.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.535 ' HG3' ' CD2' ' A' ' 50' ' ' TYR . 1.6 mt-10 -113.39 -52.01 2.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 110.3 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.76 163.24 21.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 109.989 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.6 p -61.89 115.65 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.36 18.65 61.99 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.554 1.158 . . . . 0.0 111.032 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.581 ' HB3' HD11 ' A' ' 79' ' ' LEU . 14.1 mt-10 -128.68 130.73 47.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 0.772 . . . . 0.0 110.301 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.421 ' HA ' ' O ' ' A' ' 42' ' ' SER . 25.0 m -136.05 150.06 27.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.535 ' CD2' ' HG3' ' A' ' 44' ' ' GLU . 1.0 OUTLIER -118.77 134.05 55.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 111.04 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.857 HG23 HD11 ' A' ' 41' ' ' LEU . 3.6 mt -114.5 107.38 22.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.429 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 6.7 mttt -119.13 152.2 36.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.631 ' HA ' HD23 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -88.12 130.06 35.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.027 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.47 ' CG2' ' HB2' ' A' ' 40' ' ' GLN . 82.8 p -90.99 11.81 21.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.408 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.565 ' HG2' ' CE1' ' A' ' 36' ' ' HIS . 43.7 tp10 -104.7 -61.17 1.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.343 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.439 ' OG1' ' N ' ' A' ' 57' ' ' GLY . 32.0 p -91.74 -64.36 1.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 110.392 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.439 ' N ' ' OG1' ' A' ' 56' ' ' THR . . . 125.74 42.23 0.32 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.447 1.092 . . . . 0.0 111.015 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -116.46 136.29 53.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 0.782 . . . . 0.0 110.242 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.429 ' CD1' ' HG2' ' A' ' 52' ' ' LYS . 58.1 m-85 -77.0 136.36 38.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.551 ' CD2' HD12 ' A' ' 51' ' ' ILE . 2.8 tp -77.76 112.87 15.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.259 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.475 ' HB2' ' SG ' ' A' ' 78' ' ' CYS . . . -137.92 154.25 49.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.488 ' HE2' ' HB2' ' A' ' 62' ' ' MET . 6.2 tpp -103.47 145.89 29.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.979 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.426 ' N ' ' HG3' ' A' ' 62' ' ' MET . 0.5 OUTLIER -97.42 163.1 13.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.413 ' H ' HG23 ' A' ' 64' ' ' THR . 61.8 p -50.64 -33.11 21.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.369 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.418 ' HB3' ' CD2' ' A' ' 67' ' ' LEU . 6.7 m-20 -60.89 -19.0 59.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.422 ' HA3' ' CD ' ' A' ' 116' ' ' PRO . . . 93.37 13.87 54.9 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.477 1.111 . . . . 0.0 110.964 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.418 ' CD2' ' HB3' ' A' ' 65' ' ' ASP . 0.6 OUTLIER -105.0 161.54 14.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 0.773 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.909 HD11 HG13 ' A' ' 104' ' ' VAL . 7.6 mt -97.44 142.44 29.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.512 ' CD1' ' C ' ' A' ' 69' ' ' TYR . 4.0 p90 -147.81 155.4 41.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 111.031 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -76.81 111.5 3.29 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.87 127.17 34.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 0.782 . . . . 0.0 109.986 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -61.01 -54.49 44.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.2 p -104.56 156.46 35.85 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 110.414 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 116.48 4.59 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.471 1.774 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -125.63 156.37 39.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -48.31 -25.71 1.69 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.48 1.113 . . . . 0.0 110.301 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -64.76 -27.6 69.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.455 1.097 . . . . 0.0 110.321 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.475 ' SG ' ' HB2' ' A' ' 61' ' ' ALA . 48.0 m -77.46 -16.98 58.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 108.291 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.581 HD11 ' HB3' ' A' ' 48' ' ' GLU . 3.2 tp -87.93 117.2 26.62 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -116.45 165.17 13.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.963 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.67 HD21 ' HD3' ' A' ' 95' ' ' LYS . 4.5 mt -103.46 129.99 50.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.42 ' OE2' ' N ' ' A' ' 83' ' ' ARG . 2.7 tm-20 -108.62 150.12 27.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.42 ' N ' ' OE2' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -157.86 152.76 25.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.092 . . . . 0.0 110.342 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.492 HD22 ' N ' ' A' ' 85' ' ' GLU . 2.5 tm? -95.76 128.88 43.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.492 ' N ' HD22 ' A' ' 84' ' ' LEU . 12.6 mm-40 -98.33 159.11 15.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.316 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -72.42 88.16 1.19 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 173.68 -89.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 177.05 38.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.588 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.892 ' CE1' HD12 ' A' ' 128' ' ' LEU . 74.2 m-85 -139.52 171.96 13.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 111.017 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -125.97 156.69 39.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.463 ' CG2' HG13 ' A' ' 125' ' ' ILE . 1.2 p -126.92 144.26 51.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.374 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -126.6 132.56 51.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 1.046 HD11 ' CE2' ' A' ' 103' ' ' PHE . 43.5 mt -135.52 145.2 32.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 98' ' ' ALA . 1.6 t -71.59 138.81 49.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 110.01 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.67 ' HD3' HD21 ' A' ' 81' ' ' LEU . 18.4 tptm -73.98 -50.16 21.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.577 ' HB3' ' CD2' ' A' ' 97' ' ' HIS . 2.8 tttt -58.76 -17.13 20.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.247 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.577 ' CD2' ' HB3' ' A' ' 96' ' ' LYS . 0.1 OUTLIER -129.66 23.44 5.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.608 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.528 ' HB2' ' HA ' ' A' ' 95' ' ' LYS . . . -54.66 -52.67 61.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.31 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -60.89 -24.73 66.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 110.319 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.475 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 2.3 mtpt -73.5 -12.48 60.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 49.87 65.03 1.54 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.475 ' CD1' ' O ' ' A' ' 100' ' ' LYS . 48.0 m0 -111.61 131.16 55.46 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 1.046 ' CE2' HD11 ' A' ' 93' ' ' ILE . 89.3 m-85 -113.14 149.2 33.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.996 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.909 HG13 HD11 ' A' ' 68' ' ' LEU . 74.4 t -70.64 -89.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 104' ' ' VAL . . . 51.1 173.59 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.905 HD23 ' HA ' ' A' ' 112' ' ' CYS . 19.4 mt -138.16 131.45 30.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 0.748 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 111' ' ' SER . 5.7 mtpt -55.61 -167.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -90.18 -13.06 36.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -86.78 7.16 28.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 72.62 29.05 66.22 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.481 1.113 . . . . 0.0 111.054 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.466 ' O ' ' N ' ' A' ' 107' ' ' LYS . 0.4 OUTLIER -121.69 160.86 23.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 0.762 . . . . 0.0 109.981 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . 0.905 ' HA ' HD23 ' A' ' 106' ' ' LEU . 18.8 p -66.87 136.02 54.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 108.32 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.503 ' HD3' HG22 ' A' ' 118' ' ' THR . 4.0 tttp -89.5 125.62 35.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -37.75 139.68 0.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.339 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.495 ' C ' ' H ' ' A' ' 117' ' ' ARG . . . -64.25 -55.85 21.29 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.422 ' CD ' ' HA3' ' A' ' 66' ' ' GLY . 18.2 Cg_endo -75.01 32.75 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.539 1.81 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.495 ' H ' ' C ' ' A' ' 115' ' ' GLY . 6.2 mmt180 -141.84 21.94 2.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.333 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.503 HG22 ' HD3' ' A' ' 113' ' ' LYS . 1.5 p -119.82 159.27 24.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.449 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -164.62 166.8 19.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 109.596 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -71.46 132.59 44.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.972 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 120.99 -23.4 7.76 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.521 1.138 . . . . 0.0 110.967 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -76.12 149.09 37.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 0.755 . . . . 0.0 110.28 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.3 ttmm -91.86 26.46 2.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.25 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -102.02 -59.03 1.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.463 HG13 ' CG2' ' A' ' 91' ' ' THR . 4.6 pt -46.4 -37.52 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 29.9 mt -62.01 114.06 3.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -119.99 140.38 51.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.892 HD12 ' CE1' ' A' ' 89' ' ' TYR . 0.4 OUTLIER -113.37 108.01 52.88 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . 0.449 ' HA ' ' O ' ' A' ' 8' ' ' LEU . 18.6 Cg_endo -74.99 107.07 2.4 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.462 1.77 . . . . 0.0 111.037 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.417 HD12 ' HE1' ' A' ' 17' ' ' PHE . 64.4 mt -98.79 146.58 31.88 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.523 1.14 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 146.14 32.33 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.525 1.803 . . . . 0.0 110.963 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.475 ' CG2' HD11 ' A' ' 8' ' ' LEU . 0.5 OUTLIER -147.38 164.96 6.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 12.4 t 62.65 149.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.148 . . . . 0.0 110.028 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 21.1 p -134.89 143.77 47.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.986 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 136' ' ' LEU . 0.4 OUTLIER 54.38 101.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 135' ' ' ASP . 0.0 OUTLIER -41.55 161.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 109.258 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 173.24 -60.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.102 . . . . 0.0 110.313 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 59.27 172.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.616 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -95.14 130.25 41.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.466 1.104 . . . . 0.0 109.59 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 63.76 165.9 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.597 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -147.26 176.61 9.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.578 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 54.2 t60 -126.91 153.27 45.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.569 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.585 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.533 0.206 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 26.3 m-20 -154.52 97.11 1.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -135.83 162.3 33.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 110.952 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.2 mttt 60.34 -166.87 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.341 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.417 ' N ' ' HD3' ' A' ' 6' ' ' PRO . 19.4 tttt -138.59 64.46 37.1 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.417 ' HD3' ' N ' ' A' ' 5' ' ' LYS . 18.3 Cg_endo -75.02 158.67 41.98 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.522 1.801 . . . . 0.0 110.951 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.34 167.8 21.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.157 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.527 HD11 ' HB ' ' A' ' 132' ' ' VAL . 2.0 mt -122.74 141.0 52.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -92.68 104.48 16.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -82.21 139.07 34.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.457 ' O ' ' N ' ' A' ' 15' ' ' GLY . 51.4 t -119.12 77.62 1.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 108.305 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 13' ' ' ASN . 41.1 t -37.9 -36.7 0.21 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.978 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 12' ' ' SER . 10.8 t30 -38.37 -65.67 0.33 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.147 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.554 ' O ' ' CE1' ' A' ' 16' ' ' HIS . . . -127.0 25.19 5.29 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.521 1.138 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 11' ' ' CYS . . . 42.46 71.13 0.41 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.059 -0.817 . . . . 0.0 111.059 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.554 ' CE1' ' O ' ' A' ' 14' ' ' GLY . 56.8 m80 -134.76 163.67 29.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 0.778 . . . . 0.0 109.563 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.489 ' HE1' HD12 ' A' ' 130' ' ' LEU . 22.0 m-85 -117.21 140.89 48.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.546 1.154 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.641 ' CD1' HD21 ' A' ' 106' ' ' LEU . 13.1 tp -79.26 112.56 16.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.93 ' HB3' HG22 ' A' ' 37' ' ' ILE . 2.6 ptm180 -116.4 150.28 38.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 110.288 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.829 HD11 ' HB2' ' A' ' 60' ' ' LEU . 59.8 mt -124.12 109.83 23.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.704 HD21 ' NE ' ' A' ' 19' ' ' ARG . 24.3 mt -76.7 157.34 82.17 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 0.18 9.21 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.488 1.783 . . . . 0.0 111.023 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -100.77 10.5 41.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.88 46.83 27.85 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.556 1.16 . . . . 0.0 111.016 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.5 m -126.68 143.86 51.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 0.732 . . . . 0.0 110.428 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.3 t -135.35 119.5 26.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.273 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -148.17 162.58 39.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -84.03 135.05 13.29 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.418 1.074 . . . . 0.0 110.993 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.472 ' CG2' HG21 ' A' ' 37' ' ' ILE . 1.2 t -136.98 136.56 38.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 0.745 . . . . 0.0 110.438 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -110.64 55.82 0.64 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.289 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -146.33 85.15 1.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 33' ' ' SER . 1.4 mpp_? -39.83 -37.99 0.62 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.348 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 32' ' ' ARG . 0.2 OUTLIER -39.15 -41.85 0.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.0 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.417 ' OD2' HG23 ' A' ' 37' ' ' ILE . 1.2 t0 -44.99 120.81 2.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -94.23 28.39 2.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.303 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 45.0 m80 -122.28 -41.95 2.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.647 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.93 HG22 ' HB3' ' A' ' 19' ' ' ARG . 44.3 pt -48.19 -26.89 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -52.99 89.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.333 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.747 HD23 ' HA ' ' A' ' 53' ' ' SER . 61.0 mt -101.72 143.34 31.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.833 ' HG2' HG22 ' A' ' 54' ' ' THR . 1.1 pt20 -105.31 114.8 29.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.36 136.23 33.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.9 m -139.87 160.46 39.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.986 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -122.27 125.02 45.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -110.11 -42.0 4.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.237 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.52 163.62 23.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.044 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 11.9 p -62.59 125.86 19.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.155 . . . . 0.0 109.254 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.404 ' O ' ' HA ' ' A' ' 81' ' ' LEU . . . 73.51 4.56 65.46 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.478 1.111 . . . . 0.0 111.031 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.778 ' HG2' HD23 ' A' ' 81' ' ' LEU . 28.4 mt-10 -115.56 140.49 49.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.78 . . . . 0.0 110.303 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.434 ' O ' HD12 ' A' ' 79' ' ' LEU . 25.5 m -137.01 161.33 35.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.428 1.08 . . . . 0.0 109.345 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.441 ' CE2' HD22 ' A' ' 79' ' ' LEU . 3.6 m-85 -127.67 137.21 52.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 5.7 mt -122.95 123.44 68.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.251 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.564 ' HD3' ' CE1' ' A' ' 59' ' ' TYR . 25.7 ttpt -140.98 150.91 43.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.747 ' HA ' HD23 ' A' ' 39' ' ' LEU . 0.6 OUTLIER -79.19 129.35 34.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 110.04 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.833 HG22 ' HG2' ' A' ' 40' ' ' GLN . 40.1 p -83.6 -1.57 54.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.138 . . . . 0.0 110.42 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -99.15 -58.93 1.82 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.292 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 39.9 p -82.46 -52.12 7.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 110.424 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 105.24 46.06 1.28 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.491 1.119 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -127.8 136.62 51.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 0.799 . . . . 0.0 110.313 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.564 ' CE1' ' HD3' ' A' ' 52' ' ' LYS . 21.3 m-85 -80.61 141.13 35.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.829 ' HB2' HD11 ' A' ' 20' ' ' ILE . 4.2 tp -77.19 115.87 17.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.675 ' HB2' ' SG ' ' A' ' 78' ' ' CYS . . . -132.45 153.56 50.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.458 ' HE2' ' HB2' ' A' ' 62' ' ' MET . 14.4 tpp -106.44 135.98 47.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 110.993 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.517 ' CG ' ' CE2' ' A' ' 69' ' ' TYR . 1.0 OUTLIER -90.51 -171.83 3.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 0.0 109.274 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.9 p -80.59 -28.32 37.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.37 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.424 ' CB ' HD22 ' A' ' 67' ' ' LEU . 5.2 m-20 -67.44 -9.65 43.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.54 -2.24 84.58 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.539 1.15 . . . . 0.0 111.002 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.424 HD22 ' CB ' ' A' ' 65' ' ' ASP . 0.6 OUTLIER -85.94 155.72 20.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 0.0 109.315 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 14.9 mt -96.3 140.43 30.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.555 ' CD1' ' C ' ' A' ' 69' ' ' TYR . 2.8 p90 -148.37 150.84 34.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -88.68 127.64 8.72 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.509 1.131 . . . . 0.0 110.946 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.7 t -93.7 139.61 30.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 0.741 . . . . 0.0 110.017 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -63.63 -37.32 86.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.305 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.3 p -119.83 158.92 48.62 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.355 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 112.28 3.52 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.458 1.767 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -125.64 157.16 37.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.252 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -49.45 -32.71 12.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -61.1 -17.29 51.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.283 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.675 ' SG ' ' HB2' ' A' ' 61' ' ' ALA . 7.3 m -95.26 -18.86 20.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 108.312 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.61 HD11 ' HB3' ' A' ' 48' ' ' GLU . 2.5 tp -83.02 119.55 24.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -117.01 165.35 13.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.778 HD23 ' HG2' ' A' ' 48' ' ' GLU . 5.9 mt -103.37 125.1 49.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -109.21 149.13 29.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.24 147.31 20.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.8 tt -92.3 108.05 19.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 109.343 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.466 ' OE2' HG21 ' A' ' 91' ' ' THR . 0.5 OUTLIER -105.53 165.37 11.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.312 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -52.99 176.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.275 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 73.88 4.55 4.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 54.45 62.42 2.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.611 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.602 ' HD1' HD13 ' A' ' 128' ' ' LEU . 0.8 OUTLIER -144.69 158.77 43.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 111.031 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -111.79 148.08 34.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.549 HG22 ' O ' ' A' ' 125' ' ' ILE . 22.5 p -131.07 159.68 36.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.423 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -141.52 134.06 28.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 111.058 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.677 HD11 ' CE2' ' A' ' 103' ' ' PHE . 51.3 mt -135.49 143.29 37.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.286 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.97 138.37 57.21 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.47 1.107 . . . . 0.0 110.004 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 25.6 tttt -69.4 -58.36 4.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.584 ' HB3' ' CD2' ' A' ' 97' ' ' HIS . 24.1 tttt -57.36 -24.52 55.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.585 ' CD2' ' N ' ' A' ' 97' ' ' HIS . 0.1 OUTLIER -121.93 44.73 2.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.614 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -78.06 -44.4 26.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 109.335 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -68.62 -21.01 64.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.322 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.543 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 3.1 mtpt -74.7 -11.65 60.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 51.3 63.74 2.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.543 ' CD1' ' O ' ' A' ' 100' ' ' LYS . 46.7 m0 -113.3 131.98 55.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 107.99 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.677 ' CE2' HD11 ' A' ' 93' ' ' ILE . 88.4 m-85 -112.78 148.77 34.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.498 ' O ' ' C ' ' A' ' 105' ' ' GLY . 40.6 t -72.63 -25.95 23.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.583 ' HA2' ' CE1' ' A' ' 127' ' ' PHE . . . -29.87 143.73 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.487 1.117 . . . . 0.0 111.02 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.641 HD21 ' CD1' ' A' ' 18' ' ' LEU . 0.9 OUTLIER -106.84 149.95 26.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.778 . . . . 0.0 109.287 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 111' ' ' SER . 1.1 mtpt -55.17 -171.18 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.84 -9.39 18.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.093 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -92.87 25.21 3.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 64.0 39.78 97.59 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.512 1.132 . . . . 0.0 111.053 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.49 ' O ' ' N ' ' A' ' 107' ' ' LYS . 49.3 m -135.52 166.08 24.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 0.758 . . . . 0.0 110.011 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . 0.568 ' HA ' HD23 ' A' ' 106' ' ' LEU . 19.4 p -82.22 135.65 35.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 108.302 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.628 ' HD3' HG22 ' A' ' 118' ' ' THR . 7.5 tttt -90.22 107.53 19.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -36.78 142.49 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 110.278 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.469 ' C ' ' H ' ' A' ' 117' ' ' ARG . . . -50.07 -59.99 7.03 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.471 1.107 . . . . 0.0 111.034 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.405 ' O ' ' HG2' ' A' ' 117' ' ' ARG . 18.2 Cg_endo -75.0 38.05 0.51 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.506 1.792 . . . . 0.0 111.004 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.469 ' H ' ' C ' ' A' ' 115' ' ' GLY . 2.7 mtt-85 -144.39 17.0 1.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.274 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.628 HG22 ' HD3' ' A' ' 113' ' ' LYS . 3.7 p -118.29 166.48 12.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.4 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.585 ' O ' HD13 ' A' ' 125' ' ' ILE . 0.4 OUTLIER -175.36 -176.01 0.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.587 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -86.49 142.59 28.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 111.3 -20.01 23.87 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -85.49 154.68 21.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 0.774 . . . . 0.0 110.303 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.07 16.54 16.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -94.1 -45.17 7.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.342 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.585 HD13 ' O ' ' A' ' 119' ' ' HIS . 1.8 pt -65.79 -25.66 36.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.098 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.573 ' HB3' ' CD2' ' A' ' 89' ' ' TYR . 47.7 mt -73.65 108.03 6.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.583 ' CE1' ' HA2' ' A' ' 105' ' ' GLY . 1.7 m-30 -119.38 141.68 48.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.963 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.602 HD13 ' HD1' ' A' ' 89' ' ' TYR . 5.9 tp -127.81 126.63 23.92 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . 0.446 ' HA ' ' O ' ' A' ' 8' ' ' LEU . 18.3 Cg_endo -75.0 117.22 4.83 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.46 1.768 . . . . 0.0 111.006 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.489 HD12 ' HE1' ' A' ' 17' ' ' PHE . 35.9 mt -100.54 133.59 21.19 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 130' ' ' LEU . 18.1 Cg_endo -74.96 132.26 15.27 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.518 1.799 . . . . 0.0 111.001 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.527 ' HB ' HD11 ' A' ' 8' ' ' LEU . 6.1 p -118.33 -5.33 11.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 28.8 t -179.94 96.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.991 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.2 m -147.01 174.17 11.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.127 . . . . 0.0 110.049 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 177.77 -57.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.321 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 1.02 HD22 ' N ' ' A' ' 137' ' ' GLU . 0.0 OUTLIER -52.35 167.82 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 1.02 ' N ' HD22 ' A' ' 136' ' ' LEU . 0.5 OUTLIER -141.41 152.17 44.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . 0.448 ' O ' ' CD2' ' A' ' 139' ' ' HIS . 1.3 t-80 -88.27 123.79 33.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 1.077 . . . . 0.0 109.585 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . 0.448 ' CD2' ' O ' ' A' ' 138' ' ' HIS . 0.7 OUTLIER -179.17 100.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.606 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 46.7 t60 -129.57 103.15 6.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.581 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -112.29 149.94 31.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 109.606 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -159.41 154.32 24.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.597 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.577 179.988 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.513 0.197 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.413 ' H ' ' ND2' ' A' ' 2' ' ' ASN . 3.2 p30 -80.26 -40.88 26.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -145.04 111.51 5.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.45 94.84 4.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.4 pttt -133.3 152.0 78.6 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 159.49 41.27 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.499 1.789 . . . . 0.0 110.982 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.5 mtmt -142.49 155.02 45.01 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.623 HD22 HD12 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -103.56 139.91 38.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.721 HD11 HD21 ' A' ' 41' ' ' LEU . 1.9 mm? -91.63 115.04 27.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.255 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.516 ' O ' ' CD1' ' A' ' 127' ' ' PHE . 17.8 t80 -84.32 141.52 30.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 15' ' ' GLY . 20.9 t -116.4 70.86 0.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 108.339 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 11' ' ' CYS . 5.2 p -35.85 -35.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.001 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' A' ' 11' ' ' CYS . 14.2 t30 -42.24 -48.65 4.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 11' ' ' CYS . . . -124.93 -38.4 0.5 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 11' ' ' CYS . . . 103.23 58.94 0.73 Allowed Glycine 0 CA--C 1.531 1.031 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.416 ' CD2' ' HG2' ' A' ' 30' ' ' ARG . 14.9 m80 -135.48 167.07 21.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 0.761 . . . . 0.0 109.639 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -110.41 142.05 42.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.803 ' CD1' HD21 ' A' ' 106' ' ' LEU . 10.7 tp -78.51 114.25 17.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.863 ' HB3' HG22 ' A' ' 37' ' ' ILE . 4.6 ptm180 -117.54 154.48 31.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.298 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.695 HD11 ' HB2' ' A' ' 60' ' ' LEU . 6.0 mt -124.5 117.08 49.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.448 HD12 ' HB ' ' A' ' 25' ' ' THR . 23.8 mt -82.21 157.61 67.99 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -1.44 11.22 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.542 1.811 . . . . 0.0 111.019 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.96 6.72 47.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.23 40.86 27.91 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.558 1.161 . . . . 0.0 110.982 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.448 ' HB ' HD12 ' A' ' 21' ' ' LEU . 2.2 m -122.41 146.62 47.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 0.762 . . . . 0.0 110.441 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.3 t -129.72 121.11 51.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -144.75 161.92 38.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.09 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -90.67 138.46 14.41 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.499 1.124 . . . . 0.0 110.984 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.532 ' CG2' HG21 ' A' ' 37' ' ' ILE . 1.7 t -140.5 145.27 36.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 0.785 . . . . 0.0 110.37 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.416 ' HG2' ' CD2' ' A' ' 16' ' ' HIS . 1.3 ptt85 -117.99 36.49 4.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.3 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -121.37 87.39 2.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -40.65 -34.27 0.35 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.331 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.95 -49.68 3.26 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 110.038 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.441 ' OD2' HG23 ' A' ' 37' ' ' ILE . 3.9 t70 -48.07 136.37 11.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -102.13 -19.37 15.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.262 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.557 ' CD2' ' HG2' ' A' ' 55' ' ' GLU . 35.5 m80 -67.1 -33.4 75.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.586 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.863 HG22 ' HB3' ' A' ' 19' ' ' ARG . 37.4 pt -56.55 -33.01 38.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -53.64 94.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.554 1.159 . . . . 0.0 110.291 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.837 HD23 ' HA ' ' A' ' 53' ' ' SER . 35.2 mt -102.45 146.4 28.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.406 ' HB2' ' CG2' ' A' ' 54' ' ' THR . 0.0 OUTLIER -105.88 114.34 28.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.316 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.919 HD11 HG23 ' A' ' 51' ' ' ILE . 0.1 OUTLIER -91.0 136.56 32.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 109.299 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.418 ' O ' ' HA ' ' A' ' 49' ' ' VAL . 5.6 m -134.45 160.02 39.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.965 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -123.54 130.28 52.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.626 ' CD ' ' CE2' ' A' ' 50' ' ' TYR . 44.3 mt-10 -117.69 -49.37 2.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.305 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.68 160.41 30.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 109.972 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 97.9 t -58.01 127.54 17.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.06 32.47 73.04 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.478 1.111 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.79 ' HB3' HD11 ' A' ' 79' ' ' LEU . 11.2 mt-10 -140.53 137.09 33.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 0.782 . . . . 0.0 110.302 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.452 ' O ' HD12 ' A' ' 79' ' ' LEU . 22.1 m -142.34 151.77 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.788 ' CD2' HD13 ' A' ' 79' ' ' LEU . 5.2 m-85 -116.38 132.63 56.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.96 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.919 HG23 HD11 ' A' ' 41' ' ' LEU . 1.6 mt -115.96 107.3 22.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.423 ' HG2' ' N ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -132.05 145.0 51.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.335 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.837 ' HA ' HD23 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -82.81 137.21 34.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.964 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.406 ' CG2' ' HB2' ' A' ' 40' ' ' GLN . 9.6 p -96.2 -4.92 41.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.387 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.557 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 25.3 tp10 -85.24 -65.57 0.99 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 110.336 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 71.5 p -78.13 -64.81 1.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 110.398 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 127.39 46.13 0.2 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.483 1.114 . . . . 0.0 110.97 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -129.05 162.11 28.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 0.793 . . . . 0.0 110.286 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.468 ' CD1' ' N ' ' A' ' 59' ' ' TYR . 1.7 m-30 -111.6 138.89 47.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 111.036 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.695 ' HB2' HD11 ' A' ' 20' ' ' ILE . 2.7 tp -77.32 118.31 19.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -136.53 149.23 48.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 55.6 ttm -104.09 117.62 34.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 111.02 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.62 -162.98 0.29 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 72.4 p -87.14 -18.4 30.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.367 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.473 ' HB3' HD22 ' A' ' 67' ' ' LEU . 5.3 m-20 -66.64 -22.61 66.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 99.76 -7.94 59.53 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.473 HD22 ' HB3' ' A' ' 65' ' ' ASP . 0.2 OUTLIER -91.98 170.06 10.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 0.777 . . . . 0.0 109.276 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.864 HD11 HG13 ' A' ' 104' ' ' VAL . 3.4 mt -103.79 144.69 31.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.541 ' CD1' ' C ' ' A' ' 69' ' ' TYR . 3.4 p90 -148.62 163.87 35.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -91.65 125.63 8.13 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.518 1.136 . . . . 0.0 111.019 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.7 t -92.38 140.01 30.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 0.769 . . . . 0.0 109.987 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -75.56 -32.03 60.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.5 p -120.79 156.82 55.94 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.389 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 108.99 2.84 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.521 1.801 . . . . 0.0 110.995 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 44.2 m-20 -127.04 154.84 44.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -47.3 -28.27 1.91 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 110.318 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -60.14 -25.15 65.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.303 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 33.4 m -82.45 -21.27 35.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 108.295 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.79 HD11 ' HB3' ' A' ' 48' ' ' GLU . 10.1 tp -86.51 127.94 34.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.406 ' O ' ' HA ' ' A' ' 48' ' ' GLU . 10.1 m-85 -124.3 163.75 21.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 111.003 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.673 HD22 ' N ' ' A' ' 81' ' ' LEU . 0.1 OUTLIER -104.01 125.49 50.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.411 ' OE1' ' N ' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -108.57 148.81 29.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.312 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.411 ' N ' ' OE1' ' A' ' 82' ' ' GLU . 0.4 OUTLIER -148.31 166.25 28.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.287 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.458 HD13 ' N ' ' A' ' 85' ' ' GLU . 0.1 OUTLIER -107.52 127.93 54.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.458 ' N ' HD13 ' A' ' 84' ' ' LEU . 2.8 mm-40 -103.25 164.77 11.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 110.297 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -86.11 49.78 1.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 110.318 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -152.82 26.19 0.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 53.04 33.83 15.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.576 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.446 ' CE1' HD12 ' A' ' 128' ' ' LEU . 3.1 m-85 -133.57 153.79 51.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.955 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -114.85 156.82 24.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 72.5 p -124.69 166.88 15.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.381 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -147.06 132.69 18.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 111.012 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.613 ' O ' HD22 ' A' ' 81' ' ' LEU . 61.0 mt -130.93 147.96 33.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.494 ' O ' ' HB2' ' A' ' 98' ' ' ALA . 40.7 t -76.48 138.05 40.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.006 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.454 ' HA ' HD21 ' A' ' 81' ' ' LEU . 0.1 OUTLIER -62.74 -74.16 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.561 ' HB3' ' CD2' ' A' ' 97' ' ' HIS . 1.1 tttt -44.48 -28.46 0.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.26 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.561 ' CD2' ' HB3' ' A' ' 96' ' ' LYS . 0.2 OUTLIER -122.44 52.11 1.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.616 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.494 ' HB2' ' O ' ' A' ' 94' ' ' SER . . . -97.9 -31.04 12.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -72.98 -24.04 60.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.326 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.592 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 2.4 mttt -79.81 1.23 27.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.242 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 45.78 64.78 1.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.323 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.592 ' CD1' ' O ' ' A' ' 100' ' ' LYS . 50.8 m0 -112.29 133.14 54.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 108.015 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.552 ' CE2' HD11 ' A' ' 93' ' ' ILE . 92.1 m-85 -112.73 148.7 34.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.864 HG13 HD11 ' A' ' 68' ' ' LEU . 70.0 t -63.51 -95.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.575 ' HA2' ' CE1' ' A' ' 127' ' ' PHE . . . 53.49 169.89 0.03 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 1.003 HD23 ' HA ' ' A' ' 112' ' ' CYS . 2.1 mt -137.14 132.9 34.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 0.785 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 111' ' ' SER . 44.7 mttt -50.83 179.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.76 -6.19 59.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -88.77 8.99 26.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 71.54 38.44 61.78 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.525 1.141 . . . . 0.0 111.028 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 107' ' ' LYS . 42.5 p -136.27 166.75 22.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 0.791 . . . . 0.0 109.986 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . 1.003 ' HA ' HD23 ' A' ' 106' ' ' LEU . 58.7 m -67.38 134.82 52.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 108.312 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.803 ' HZ1' HG22 ' A' ' 118' ' ' THR . 17.9 ttpp -90.88 126.92 36.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.435 ' O ' HG23 ' A' ' 118' ' ' THR . 0.0 OUTLIER -37.67 153.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.321 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.53 ' N ' ' CD ' ' A' ' 116' ' ' PRO . . . -79.35 -49.34 6.3 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.527 1.142 . . . . 0.0 111.026 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.589 ' HA ' ' CD1' ' A' ' 102' ' ' TRP . 18.3 Cg_endo -75.01 4.92 4.32 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.476 1.777 . . . . 0.0 111.007 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 3.2 mmt-85 -115.96 40.8 2.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.326 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.803 HG22 ' HZ1' ' A' ' 113' ' ' LYS . 16.6 p -126.63 167.12 16.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.367 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.547 ' O ' HD13 ' A' ' 125' ' ' ILE . 5.1 t-160 -163.89 -179.06 6.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.599 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -94.39 137.89 32.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 111.031 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 102.9 -6.97 52.31 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.453 1.095 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -80.21 161.2 25.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 0.773 . . . . 0.0 110.288 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.39 8.57 42.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.444 ' CB ' ' CE ' ' A' ' 113' ' ' LYS . . . -91.37 -50.39 5.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.246 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.547 HD13 ' O ' ' A' ' 119' ' ' HIS . 1.0 OUTLIER -64.87 -25.25 37.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 84.5 mt -74.19 106.83 6.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.575 ' CE1' ' HA2' ' A' ' 105' ' ' GLY . 0.7 OUTLIER -122.94 145.81 48.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 111.025 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.854 HD23 ' HD2' ' A' ' 129' ' ' PRO . 0.6 OUTLIER -127.64 117.73 21.18 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . 0.854 ' HD2' HD23 ' A' ' 128' ' ' LEU . 18.3 Cg_endo -75.02 118.67 5.34 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.504 1.791 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.502 ' CD2' ' O ' ' A' ' 128' ' ' LEU . 3.9 mm? -100.23 149.14 35.78 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 141.24 26.33 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.498 1.788 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.521 ' CG2' HD11 ' A' ' 8' ' ' LEU . 0.3 OUTLIER -149.63 163.25 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 44.26 80.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.986 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -155.74 107.87 2.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 109.989 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -155.02 140.56 17.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -54.43 -170.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 109.265 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 58.66 155.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.337 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 56.1 93.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.545 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 7.8 t-160 -173.42 95.44 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.569 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER 68.05 156.46 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.597 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -83.19 145.5 29.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 109.63 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -91.76 125.72 36.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.16 . . . . 0.0 109.581 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 12.5 p-80 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.578 179.995 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.438 ' O ' ' N ' ' A' ' 3' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.47 0.176 . . . . 0.0 110.993 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.0 m120 60.95 -84.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.335 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.438 ' N ' ' O ' ' A' ' 1' ' ' MET . 68.4 m-85 -115.79 144.22 44.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.2 ptpt -78.27 166.0 23.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.339 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.6 tttp -169.58 65.3 0.54 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.899 ' O ' HG12 ' A' ' 132' ' ' VAL . 18.2 Cg_endo -75.07 149.14 35.97 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.492 1.785 . . . . 0.0 110.977 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.461 ' CB ' ' O ' ' A' ' 130' ' ' LEU . 0.0 OUTLIER -144.91 170.49 16.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.688 ' N ' HD22 ' A' ' 8' ' ' LEU . 0.1 OUTLIER -110.16 148.27 32.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.574 ' HB3' ' CE1' ' A' ' 127' ' ' PHE . 2.5 mp -92.06 104.08 16.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -72.64 101.92 3.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 111.0 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.505 ' HB2' HD12 ' A' ' 106' ' ' LEU . 42.5 t -79.92 70.48 6.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 108.231 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 11' ' ' CYS . 78.7 p -36.35 -33.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.122 . . . . 0.0 110.019 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 11' ' ' CYS . 6.7 t30 -40.46 -50.38 2.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.614 ' O ' ' CE1' ' A' ' 16' ' ' HIS . . . -141.93 13.46 2.62 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.503 1.127 . . . . 0.0 110.969 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.517 ' O ' ' CG ' ' A' ' 16' ' ' HIS . . . 57.21 91.59 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.614 ' CE1' ' O ' ' A' ' 14' ' ' GLY . 52.3 m80 -158.65 160.99 37.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.449 0.735 . . . . 0.0 109.611 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.63 ' CD1' ' CB ' ' A' ' 8' ' ' LEU . 16.9 m-85 -109.54 142.07 41.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 0.0 111.006 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.689 ' CD1' HD21 ' A' ' 106' ' ' LEU . 11.9 tp -79.21 112.79 16.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.838 ' HB3' HG22 ' A' ' 37' ' ' ILE . 2.0 ptm180 -117.68 151.8 36.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 110.289 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.2 mt -124.85 116.68 47.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.46 HD12 ' CG2' ' A' ' 25' ' ' THR . 26.5 mt -78.63 157.51 77.02 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.13 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -4.04 14.82 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.495 1.787 . . . . 0.0 111.025 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.09 6.92 47.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.74 46.82 10.61 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.527 1.142 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.46 ' CG2' HD12 ' A' ' 21' ' ' LEU . 1.2 m -126.6 147.51 49.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 110.364 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.3 t -130.37 120.83 49.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -147.91 161.44 41.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -89.88 153.57 23.17 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.545 1.153 . . . . 0.0 111.006 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.6 t -162.37 125.2 2.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 0.742 . . . . 0.0 110.386 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.48 54.46 1.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -143.18 86.3 1.9 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.265 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.462 ' O ' ' C ' ' A' ' 33' ' ' SER . 1.2 mpp_? -41.13 -41.62 1.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.462 ' C ' ' O ' ' A' ' 32' ' ' ARG . 0.3 OUTLIER -34.47 -36.71 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.979 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 32' ' ' ARG . 0.4 OUTLIER -57.7 132.38 53.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.256 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -104.1 21.17 16.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 36.4 m80 -120.48 14.34 11.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.65 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.838 HG22 ' HB3' ' A' ' 19' ' ' ARG . 15.7 pt -102.87 -35.63 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.421 ' HG2' HG11 ' A' ' 132' ' ' VAL . 58.4 mt-30 -46.68 97.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.618 HD23 ' HA ' ' A' ' 53' ' ' SER . 15.2 mt -103.78 146.74 28.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.52 ' HG3' HG21 ' A' ' 54' ' ' THR . 0.0 OUTLIER -105.75 119.95 40.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 0.0 110.296 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.05 136.27 39.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.9 m -137.26 158.83 43.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.002 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -122.4 124.44 43.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.437 ' CG ' ' CD2' ' A' ' 50' ' ' TYR . 3.8 mm-40 -104.48 -52.64 2.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.091 . . . . 0.0 110.336 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -128.22 162.66 26.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.007 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.4 p -57.92 122.42 7.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 109.267 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.73 16.28 79.4 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.546 1.154 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.555 ' HB3' HD11 ' A' ' 79' ' ' LEU . 9.4 mt-10 -127.11 133.48 50.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 0.751 . . . . 0.0 110.312 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.0 m -140.8 147.52 22.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.437 ' CD2' ' CG ' ' A' ' 44' ' ' GLU . 0.7 OUTLIER -115.67 145.32 42.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.997 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.422 ' CG2' HD13 ' A' ' 39' ' ' LEU . 8.0 mt -126.43 113.19 32.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.405 ' HG2' ' N ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -131.79 143.03 49.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.618 ' HA ' HD23 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -78.32 136.65 37.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.038 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.52 HG21 ' HG3' ' A' ' 40' ' ' GLN . 79.4 p -94.77 19.55 9.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.418 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.497 ' OE2' ' N ' ' A' ' 54' ' ' THR . 1.1 pm0 -112.76 -63.31 1.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.9 p -88.1 -46.87 8.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.356 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 108.0 38.69 1.96 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.502 1.126 . . . . 0.0 110.994 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -111.88 144.91 40.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 0.774 . . . . 0.0 110.3 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 5.2 m-30 -92.99 139.83 30.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.9 tp -77.0 117.29 18.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -139.14 150.84 46.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 109.243 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 51.2 ttm -104.18 120.58 41.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 110.953 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -71.74 -179.49 2.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 37.9 p -78.32 -6.05 53.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.41 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.46 -16.3 40.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.347 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 99.23 -9.91 61.39 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.428 HD13 ' N ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -87.1 157.72 19.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 0.755 . . . . 0.0 109.29 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.667 HD11 HG13 ' A' ' 104' ' ' VAL . 5.3 mt -96.37 144.4 26.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.557 ' CD1' ' C ' ' A' ' 69' ' ' TYR . 1.8 p90 -153.18 160.76 42.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -89.09 122.55 6.47 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.482 1.114 . . . . 0.0 110.98 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.6 t -86.73 139.86 30.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 0.0 110.001 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -70.52 -34.44 72.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.9 p -121.77 158.35 54.68 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.402 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 112.25 3.52 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.51 1.795 . . . . 0.0 111.013 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -126.98 154.46 44.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.337 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -48.7 -23.76 1.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.434 1.084 . . . . 0.0 110.277 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -64.95 -24.0 67.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.157 . . . . 0.0 110.266 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 32.4 m -82.78 -16.47 47.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 108.263 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.555 HD11 ' HB3' ' A' ' 48' ' ' GLU . 3.2 tp -87.37 129.31 35.07 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.41 ' HA ' ' O ' ' A' ' 93' ' ' ILE . 13.6 m-85 -128.53 164.43 22.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.516 HD21 ' HA ' ' A' ' 95' ' ' LYS . 0.6 OUTLIER -104.13 131.38 51.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.2 145.36 35.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.331 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -147.78 163.9 35.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.511 HD13 ' N ' ' A' ' 85' ' ' GLU . 0.2 OUTLIER -102.76 127.52 49.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.511 ' N ' HD13 ' A' ' 84' ' ' LEU . 3.3 mm-40 -97.95 164.45 12.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -89.11 40.59 0.99 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 110.335 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -143.61 19.6 1.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.505 ' O ' HD11 ' A' ' 128' ' ' LEU . 0.8 OUTLIER 62.27 21.83 12.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.559 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.816 ' CD1' HD13 ' A' ' 128' ' ' LEU . 4.3 m-85 -117.34 160.98 20.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -114.7 156.47 24.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.456 HG22 ' O ' ' A' ' 125' ' ' ILE . 1.0 OUTLIER -131.54 156.69 45.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 110.358 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -140.39 132.84 28.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 110.988 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.703 HD11 ' CE2' ' A' ' 103' ' ' PHE . 59.0 mt -130.74 141.62 45.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.61 138.93 56.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.013 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.516 ' HA ' HD21 ' A' ' 81' ' ' LEU . 9.8 tttt -66.42 -66.5 0.54 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.472 ' HB3' ' CD2' ' A' ' 97' ' ' HIS . 15.7 mttt -48.14 -27.41 2.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.345 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.519 ' CD2' ' N ' ' A' ' 97' ' ' HIS . 0.5 OUTLIER -122.96 52.02 1.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.632 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -91.41 -37.49 13.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.097 . . . . 0.0 109.253 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -72.51 -19.18 61.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.311 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.473 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 3.3 mtpt -81.66 -2.73 51.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 48.14 64.88 1.48 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.473 ' CD1' ' O ' ' A' ' 100' ' ' LYS . 46.9 m0 -111.67 131.89 54.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 107.981 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.703 ' CE2' HD11 ' A' ' 93' ' ' ILE . 86.0 m-85 -114.99 146.34 41.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.667 HG13 HD11 ' A' ' 68' ' ' LEU . 79.6 t -64.81 -91.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.459 ' N ' HG12 ' A' ' 104' ' ' VAL . . . 53.01 169.2 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.532 1.145 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.905 HD23 ' HA ' ' A' ' 112' ' ' CYS . 3.5 mt -138.55 135.53 35.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 0.781 . . . . 0.0 109.292 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 111' ' ' SER . 6.4 mttt -53.62 -173.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -88.98 -6.94 56.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -91.74 7.17 43.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 73.96 36.78 51.45 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.46 1.1 . . . . 0.0 111.017 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 107' ' ' LYS . 3.6 m -128.18 165.75 19.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 0.785 . . . . 0.0 110.013 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . 0.905 ' HA ' HD23 ' A' ' 106' ' ' LEU . 24.4 p -73.52 135.01 43.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 108.336 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.868 ' HE3' HG22 ' A' ' 118' ' ' THR . 30.8 ttpt -90.93 129.37 36.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.519 ' O ' HG23 ' A' ' 118' ' ' THR . 0.6 OUTLIER -38.15 150.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.578 ' N ' ' CD ' ' A' ' 116' ' ' PRO . . . -78.85 -46.54 8.39 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 115' ' ' GLY . 18.1 Cg_endo -75.03 3.43 5.64 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.474 1.776 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -119.1 44.04 2.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.142 . . . . 0.0 110.256 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.868 HG22 ' HE3' ' A' ' 113' ' ' LYS . 16.5 p -124.5 166.94 15.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.433 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -174.15 177.76 2.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.585 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -91.32 123.67 34.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 130.4 -17.01 5.37 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.464 1.103 . . . . 0.0 111.052 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -85.62 147.68 26.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 0.772 . . . . 0.0 110.305 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.405 ' C ' ' OD1' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -92.45 26.83 2.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -102.39 -46.16 4.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.456 ' O ' HG22 ' A' ' 91' ' ' THR . 6.9 pt -63.7 -28.06 44.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.453 ' HB3' ' CG ' ' A' ' 89' ' ' TYR . 19.8 mt -70.87 134.44 47.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.574 ' CE1' ' HB3' ' A' ' 9' ' ' LEU . 0.5 OUTLIER -137.59 154.43 49.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.961 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.816 HD13 ' CD1' ' A' ' 89' ' ' TYR . 4.9 tp -134.24 109.14 11.46 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . 0.445 ' HA ' ' O ' ' A' ' 8' ' ' LEU . 18.2 Cg_endo -75.01 122.7 7.37 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.556 1.819 . . . . 0.0 110.986 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.491 ' CD2' ' O ' ' A' ' 128' ' ' LEU . 3.8 mm? -103.06 140.0 20.64 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 130' ' ' LEU . 18.3 Cg_endo -74.95 103.91 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.477 1.778 . . . . 0.0 111.022 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.899 HG12 ' O ' ' A' ' 6' ' ' PRO . 2.5 p -95.89 -5.56 10.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 170.87 128.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 110.02 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.462 ' O ' ' N ' ' A' ' 136' ' ' LEU . 59.1 p -162.74 -172.91 3.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.023 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 8.0 t70 60.55 -82.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 134' ' ' SER . 0.1 OUTLIER 58.31 -152.78 0.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 109.337 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.419 ' H ' HD23 ' A' ' 136' ' ' LEU . 1.4 mt-10 -38.35 141.98 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.282 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . 0.492 ' CG ' ' O ' ' A' ' 138' ' ' HIS . 1.0 OUTLIER -158.74 82.21 0.8 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.59 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -85.02 -58.96 2.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.616 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 62.39 94.18 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.588 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -51.52 170.13 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.579 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -154.51 156.36 36.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.651 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.567 179.983 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.6 tpp . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.49 0.186 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 62.5 m-20 -42.05 119.51 1.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -94.61 115.84 28.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -168.29 111.92 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -171.26 91.78 0.44 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.44 ' O ' HG12 ' A' ' 132' ' ' VAL . 18.4 Cg_endo -75.04 155.46 42.74 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.538 1.809 . . . . 0.0 110.973 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.9 mttm -144.64 152.92 41.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.631 ' N ' HD22 ' A' ' 8' ' ' LEU . 0.3 OUTLIER -114.07 151.13 32.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.288 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.599 HD23 ' HB3' ' A' ' 18' ' ' LEU . 1.9 mm? -95.96 129.12 43.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -100.73 120.35 39.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 111.01 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 12' ' ' SER . 49.1 t -103.9 72.51 1.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 108.282 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 11' ' ' CYS . 1.9 t -35.61 -38.01 0.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.11 . . . . 0.0 110.012 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' A' ' 12' ' ' SER . 41.6 t30 -38.44 -56.93 1.2 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -117.08 -35.07 1.15 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.538 1.149 . . . . 0.0 111.018 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 11' ' ' CYS . . . 96.77 50.34 1.82 Allowed Glycine 0 CA--C 1.53 1.031 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.551 ' CD2' ' HA2' ' A' ' 110' ' ' GLY . 23.4 m80 -120.31 149.98 41.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 0.771 . . . . 0.0 109.577 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.585 ' CE2' ' HG3' ' A' ' 32' ' ' ARG . 3.7 m-85 -96.55 139.79 32.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 111.024 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.599 ' HB3' HD23 ' A' ' 9' ' ' LEU . 11.6 tp -79.1 114.99 18.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.886 ' HB3' HG22 ' A' ' 37' ' ' ILE . 5.5 ptm180 -125.64 154.62 42.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.578 1.174 . . . . 0.0 110.302 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.568 HD11 ' HB2' ' A' ' 60' ' ' LEU . 56.0 mt -124.16 121.66 62.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.142 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.521 HD12 ' HB ' ' A' ' 25' ' ' THR . 28.4 mt -86.08 157.63 56.62 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 0.36 9.02 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.523 1.801 . . . . 0.0 110.983 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.71 -0.34 40.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.339 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.23 43.05 7.67 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.447 1.092 . . . . 0.0 110.956 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.521 ' HB ' HD12 ' A' ' 21' ' ' LEU . 2.4 m -126.84 147.28 50.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 0.772 . . . . 0.0 110.389 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.664 HG13 ' O ' ' A' ' 19' ' ' ARG . 5.2 t -135.62 122.97 35.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.461 ' OD1' HG22 ' A' ' 25' ' ' THR . 0.0 OUTLIER -146.23 162.92 37.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -89.16 140.16 15.59 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.479 1.112 . . . . 0.0 111.047 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.1 t -136.6 162.44 33.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 0.75 . . . . 0.0 110.427 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.472 ' HE ' ' CD2' ' A' ' 16' ' ' HIS . 78.9 mtt180 -123.16 42.08 3.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 33' ' ' SER . 4.7 t0 -133.05 70.9 1.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.585 ' HG3' ' CE2' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -38.03 -31.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.31 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 31' ' ' ASP . 0.3 OUTLIER -46.77 -38.28 9.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.0 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.714 ' OD2' HG23 ' A' ' 37' ' ' ILE . 21.9 t70 -43.8 143.63 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -102.6 -25.51 13.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.281 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 54.7 m80 -65.24 -31.47 72.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.618 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.886 HG22 ' HB3' ' A' ' 19' ' ' ARG . 44.3 pt -59.85 -36.21 65.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.422 ' HG2' HG11 ' A' ' 132' ' ' VAL . 56.6 mt-30 -46.78 95.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.277 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.734 HD23 ' HA ' ' A' ' 53' ' ' SER . 37.7 mt -106.32 140.84 38.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.819 ' HG2' HG22 ' A' ' 54' ' ' THR . 0.0 OUTLIER -104.99 114.56 28.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.128 . . . . 0.0 110.35 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.861 ' CD1' HG23 ' A' ' 51' ' ' ILE . 0.3 OUTLIER -91.83 135.99 33.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.416 ' O ' ' HA ' ' A' ' 49' ' ' VAL . 6.5 m -133.34 161.02 35.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 110.026 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -120.37 129.47 53.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.414 ' CG ' ' CD2' ' A' ' 50' ' ' TYR . 4.2 mm-40 -112.2 -52.66 2.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.7 165.63 20.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.98 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.8 p -60.05 121.27 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.421 ' O ' HD12 ' A' ' 81' ' ' LEU . . . 76.65 23.96 68.7 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.532 1.145 . . . . 0.0 110.971 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.583 ' HB3' HD11 ' A' ' 79' ' ' LEU . 14.9 mt-10 -133.64 133.31 41.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 0.781 . . . . 0.0 110.318 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.416 ' HA ' ' O ' ' A' ' 42' ' ' SER . 6.2 m -140.91 148.45 21.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.157 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.414 ' CD2' ' CG ' ' A' ' 44' ' ' GLU . 0.9 OUTLIER -116.32 131.98 56.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 111.009 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.861 HG23 ' CD1' ' A' ' 41' ' ' LEU . 6.5 mt -117.69 113.22 41.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -133.86 152.8 51.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.734 ' HA ' HD23 ' A' ' 39' ' ' LEU . 0.3 OUTLIER -78.89 137.26 37.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.819 HG22 ' HG2' ' A' ' 40' ' ' GLN . 71.5 p -88.31 -10.05 50.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.465 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.43 -73.93 0.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 110.274 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 82.2 p -69.41 -66.24 0.61 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.45 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 122.82 47.55 0.26 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.477 1.111 . . . . 0.0 110.998 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -125.03 136.11 53.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 0.732 . . . . 0.0 110.315 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -79.7 144.15 33.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 0.0 111.003 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.568 ' HB2' HD11 ' A' ' 20' ' ' ILE . 8.7 tp -77.37 119.41 20.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.544 ' HB2' ' SG ' ' A' ' 78' ' ' CYS . . . -138.35 147.77 43.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.133 . . . . 0.0 109.254 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 31.6 ttm -104.21 116.3 31.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 111.029 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.59 ' OD2' ' CD2' ' A' ' 69' ' ' TYR . 1.0 OUTLIER -66.9 -171.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 61.5 p -83.06 -15.35 51.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.403 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.673 ' HB3' HD22 ' A' ' 67' ' ' LEU . 4.3 m-20 -77.88 -8.56 58.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.7 -13.67 65.09 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.486 1.116 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.673 HD22 ' HB3' ' A' ' 65' ' ' ASP . 0.3 OUTLIER -78.83 156.48 28.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 0.753 . . . . 0.0 109.321 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.735 HD21 HG22 ' A' ' 104' ' ' VAL . 3.8 mt -95.84 142.18 28.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.267 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.59 ' CD2' ' OD2' ' A' ' 63' ' ' ASP . 1.5 p90 -151.68 155.03 37.5 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -88.21 128.22 8.96 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.1 t -92.01 139.99 30.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 0.742 . . . . 0.0 109.999 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -62.3 -37.62 86.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.309 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.4 p -123.48 160.25 51.51 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.378 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 111.14 3.26 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.523 1.801 . . . . 0.0 111.029 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 65.4 m-80 -123.53 157.21 34.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.308 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -50.87 -24.57 3.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 110.287 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -69.14 -11.01 60.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.544 ' SG ' ' HB2' ' A' ' 61' ' ' ALA . 34.7 m -97.64 -15.04 20.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 108.337 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.583 HD11 ' HB3' ' A' ' 48' ' ' GLU . 3.4 tp -84.89 122.91 29.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -124.4 164.36 19.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.64 HD22 ' N ' ' A' ' 81' ' ' LEU . 0.3 OUTLIER -104.24 128.02 51.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.413 ' HG2' ' N ' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -109.15 143.91 37.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 110.304 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.413 ' N ' ' HG2' ' A' ' 82' ' ' GLU . 0.1 OUTLIER -142.95 165.73 26.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.348 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.48 113.81 25.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.475 ' HG3' ' CG2' ' A' ' 91' ' ' THR . 2.4 mm-40 -102.72 165.44 11.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.34 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -66.54 178.8 1.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.358 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.402 ' HB3' ' CE2' ' A' ' 89' ' ' TYR . 25.6 m-20 61.9 15.06 6.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 57.47 70.37 0.66 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.611 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.626 ' CE1' HD12 ' A' ' 128' ' ' LEU . 18.0 m-85 -144.1 164.87 29.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.967 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -122.4 153.31 39.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.475 ' CG2' ' HG3' ' A' ' 85' ' ' GLU . 18.5 p -129.96 163.45 26.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.371 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -146.7 133.74 20.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.978 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.588 ' O ' HD22 ' A' ' 81' ' ' LEU . 32.9 mt -134.08 137.1 52.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.1 t -64.36 138.17 58.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.983 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.51 ' HA ' HD21 ' A' ' 81' ' ' LEU . 0.7 OUTLIER -64.75 -70.07 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.259 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.545 ' HB3' ' CD2' ' A' ' 97' ' ' HIS . 2.6 mttt -46.24 -29.28 1.54 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.545 ' CD2' ' HB3' ' A' ' 96' ' ' LYS . 0.3 OUTLIER -122.24 54.72 1.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.58 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.45 ' HA ' ' CG2' ' A' ' 93' ' ' ILE . . . -92.02 -35.95 13.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -73.78 -19.63 60.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.566 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 1.1 mtpt -77.65 -4.01 43.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 47.57 64.16 1.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.566 ' CD1' ' O ' ' A' ' 100' ' ' LYS . 49.3 m0 -112.6 132.51 55.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 107.968 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.583 ' CE2' HD11 ' A' ' 93' ' ' ILE . 95.4 m-85 -114.33 148.89 36.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.735 HG22 HD21 ' A' ' 68' ' ' LEU . 31.3 t -73.53 -21.56 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.493 ' C ' ' O ' ' A' ' 104' ' ' VAL . . . -30.31 145.08 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.515 1.134 . . . . 0.0 111.013 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.75 HD23 ' HA ' ' A' ' 112' ' ' CYS . 1.6 mt -106.63 148.68 28.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 0.78 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 111' ' ' SER . 3.4 mtpt -55.7 -168.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.407 ' CG ' ' O ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -104.13 -9.72 18.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 23.1 m-20 -91.91 23.63 3.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.311 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.551 ' HA2' ' CD2' ' A' ' 16' ' ' HIS . . . 63.48 41.41 99.28 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.423 1.077 . . . . 0.0 111.028 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.481 ' O ' ' N ' ' A' ' 107' ' ' LYS . 4.8 m -137.84 164.85 27.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 0.77 . . . . 0.0 110.033 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . 0.75 ' HA ' HD23 ' A' ' 106' ' ' LEU . 26.8 p -75.62 135.16 40.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 108.261 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.654 ' HD3' HG22 ' A' ' 118' ' ' THR . 13.5 tttt -91.28 112.93 25.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.309 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 113' ' ' LYS . 0.1 OUTLIER -36.62 130.23 0.75 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.498 ' N ' ' CD ' ' A' ' 116' ' ' PRO . . . -46.13 -51.31 11.51 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 115' ' ' GLY . 18.2 Cg_endo -74.95 7.68 2.74 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.475 1.776 . . . . 0.0 110.996 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 7.1 mmt180 -122.17 42.72 3.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.331 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.654 HG22 ' HD3' ' A' ' 113' ' ' LYS . 14.1 p -129.56 167.47 17.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 110.393 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.729 ' O ' HD13 ' A' ' 125' ' ' ILE . 41.0 m-70 -147.47 173.04 13.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.153 . . . . 0.0 109.596 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.478 ' HA ' ' CD1' ' A' ' 125' ' ' ILE . 1.6 t80 -94.44 137.2 33.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 111.014 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . 0.534 ' H ' HD11 ' A' ' 125' ' ' ILE . . . 87.11 15.66 62.26 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.467 1.105 . . . . 0.0 111.024 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.441 ' NE2' ' HB2' ' A' ' 119' ' ' HIS . 10.8 mt-30 -96.31 136.89 36.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 0.786 . . . . 0.0 110.312 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.648 ' HA ' HD12 ' A' ' 126' ' ' LEU . 0.6 OUTLIER -57.28 -17.35 11.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -69.47 -62.05 1.54 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.729 HD13 ' O ' ' A' ' 119' ' ' HIS . 1.3 pt -58.54 -33.45 48.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.648 HD12 ' HA ' ' A' ' 123' ' ' LYS . 52.1 mt -62.25 100.79 0.19 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.095 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.551 ' CD1' ' HB3' ' A' ' 9' ' ' LEU . 1.6 m-85 -109.14 132.78 53.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 0.0 110.994 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.867 HD23 ' HD2' ' A' ' 129' ' ' PRO . 0.8 OUTLIER -116.39 120.25 35.09 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . 0.867 ' HD2' HD23 ' A' ' 128' ' ' LEU . 18.2 Cg_endo -75.04 122.96 7.52 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.458 1.767 . . . . 0.0 111.03 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 36.9 mt -106.26 150.76 39.81 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 154.89 43.01 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.536 1.809 . . . . 0.0 111.02 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.581 ' HB ' HD21 ' A' ' 8' ' ' LEU . 0.5 OUTLIER -157.22 164.16 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 109.325 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 7.2 t 51.89 91.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 110.017 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.33 133.51 52.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.996 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -171.96 108.78 0.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -40.17 157.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.35 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 175.24 126.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.277 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -128.53 170.64 12.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.578 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 11.2 p-80 -109.58 163.62 13.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.615 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -103.4 116.04 31.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.156 . . . . 0.0 109.591 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -65.16 172.49 3.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.599 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 33.7 m80 -116.38 165.26 13.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.618 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 42.2 t60 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.599 179.977 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.471 0.177 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 32.9 t-20 50.81 91.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -111.46 -50.34 2.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 111.02 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 43.92 76.43 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 109.348 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -168.86 78.05 0.75 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.48 ' O ' HG12 ' A' ' 132' ' ' VAL . 18.3 Cg_endo -74.97 163.74 34.78 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.51 1.795 . . . . 0.0 111.028 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -135.17 162.37 32.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.813 HD22 HD12 ' A' ' 37' ' ' ILE . 0.4 OUTLIER -118.15 143.89 46.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.769 HD21 ' CE2' ' A' ' 92' ' ' TYR . 2.9 mp -92.19 127.79 37.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 109.346 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.465 ' HB2' ' CD2' ' A' ' 130' ' ' LEU . 34.3 t80 -104.72 119.3 38.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 0.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 13' ' ' ASN . 42.3 t -96.91 77.18 2.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 108.325 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 11' ' ' CYS . 25.1 p -37.74 -31.88 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.986 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 11' ' ' CYS . 23.9 t30 -40.47 -67.43 0.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 109.246 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.41 ' CA ' ' HG2' ' A' ' 108' ' ' LYS . . . -116.01 -20.17 5.34 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.518 1.137 . . . . 0.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.476 ' O ' ' CG ' ' A' ' 16' ' ' HIS . . . 85.75 95.44 0.78 Allowed Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.582 ' CD2' ' HB2' ' A' ' 30' ' ' ARG . 73.2 m80 -158.13 178.18 10.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 0.751 . . . . 0.0 109.597 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.41 ' CE2' ' HG2' ' A' ' 32' ' ' ARG . 10.6 m-85 -127.21 141.91 51.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.981 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.717 ' CD1' HD21 ' A' ' 106' ' ' LEU . 11.9 tp -79.12 114.04 17.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.859 ' HD2' HD21 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -118.56 151.65 37.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 110.347 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.708 HD11 ' HB2' ' A' ' 60' ' ' LEU . 13.3 mt -122.5 108.21 21.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.859 HD21 ' HD2' ' A' ' 19' ' ' ARG . 34.9 mt -83.02 157.5 66.07 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -0.65 10.23 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.481 1.779 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.52 -8.61 28.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.169 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 88.86 47.96 4.03 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.459 1.1 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.624 ' HB ' HD12 ' A' ' 21' ' ' LEU . 3.0 m -126.11 134.47 51.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 0.763 . . . . 0.0 110.422 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.482 HG11 ' CD1' ' A' ' 60' ' ' LEU . 2.8 t -132.87 106.01 9.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.407 ' OD2' ' CG2' ' A' ' 25' ' ' THR . 0.6 OUTLIER -150.39 162.16 41.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.43 130.63 15.8 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.494 ' O ' ' C ' ' A' ' 30' ' ' ARG . 4.4 t -120.03 -5.38 10.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 0.0 110.41 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.582 ' HB2' ' CD2' ' A' ' 16' ' ' HIS . 17.4 ttt180 31.39 40.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 29' ' ' THR . 0.4 OUTLIER -132.64 109.75 9.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.41 ' HG2' ' CE2' ' A' ' 17' ' ' PHE . 5.1 mtm-85 -70.26 -22.86 62.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.86 -43.71 77.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.973 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.46 144.4 4.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.117 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -108.05 0.95 22.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.291 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.478 ' CD2' ' HG2' ' A' ' 55' ' ' GLU . 7.0 m80 -99.89 0.4 41.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.553 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.813 HD12 HD22 ' A' ' 8' ' ' LEU . 10.3 pt -85.42 -34.35 8.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -54.31 92.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.336 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.581 HD21 ' CD1' ' A' ' 20' ' ' ILE . 26.6 mt -98.31 146.6 25.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.449 ' HB2' ' CG2' ' A' ' 54' ' ' THR . 0.0 OUTLIER -105.73 115.5 30.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 110.276 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.42 135.93 34.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.346 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.4 ' O ' ' HA ' ' A' ' 49' ' ' VAL . 29.7 t -131.78 163.28 28.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.996 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -122.66 127.19 48.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -113.98 -44.99 3.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.127 . . . . 0.0 110.289 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.21 166.2 18.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.971 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 77.9 t -68.79 114.4 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.401 ' O ' ' HA ' ' A' ' 81' ' ' LEU . . . 90.11 5.73 70.04 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.43 1.082 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.926 ' HG2' HD23 ' A' ' 81' ' ' LEU . 11.0 mt-10 -120.17 142.19 49.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 0.732 . . . . 0.0 110.252 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 42' ' ' SER . 36.0 m -138.06 151.4 25.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -118.84 133.22 55.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.8 mt -117.61 117.21 54.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.555 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 0.1 OUTLIER -127.25 152.81 46.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.255 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.8 t -81.5 137.03 35.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.988 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.449 ' CG2' ' HB2' ' A' ' 40' ' ' GLN . 35.6 p -101.29 4.52 41.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.401 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.478 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 46.5 tp10 -109.62 -80.99 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.262 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.467 ' OG1' ' N ' ' A' ' 57' ' ' GLY . 62.3 p -59.06 -77.35 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.423 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.467 ' N ' ' OG1' ' A' ' 56' ' ' THR . . . 141.39 44.75 0.06 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.456 1.098 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.494 HE21 HG22 ' A' ' 20' ' ' ILE . 4.3 mt-30 -129.32 160.08 34.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 0.773 . . . . 0.0 110.32 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.555 ' CD1' ' HG2' ' A' ' 52' ' ' LYS . 5.2 m-30 -104.59 143.23 33.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 111.022 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.708 ' HB2' HD11 ' A' ' 20' ' ' ILE . 3.9 tp -77.34 110.47 12.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.466 ' HB2' ' SG ' ' A' ' 78' ' ' CYS . . . -140.73 154.34 46.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.504 ' HE2' HD21 ' A' ' 68' ' ' LEU . 5.0 tpp -104.69 131.1 52.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.404 ' CG ' ' CE2' ' A' ' 69' ' ' TYR . 0.4 OUTLIER -82.45 -168.4 1.98 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.5 p -82.97 -1.04 51.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.407 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -91.8 -6.06 52.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.424 ' C ' HD13 ' A' ' 67' ' ' LEU . . . 82.56 7.7 87.12 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.5 1.125 . . . . 0.0 111.028 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.424 HD13 ' C ' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -101.66 168.42 9.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 0.787 . . . . 0.0 109.314 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.538 HD21 HG22 ' A' ' 104' ' ' VAL . 7.5 mt -106.3 140.63 38.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.535 ' CD1' ' C ' ' A' ' 69' ' ' TYR . 3.3 p90 -146.19 154.33 41.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 110.983 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -75.56 111.08 3.23 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.507 1.13 . . . . 0.0 110.979 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.07 131.82 34.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 0.801 . . . . 0.0 109.99 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -72.49 -51.86 18.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 110.303 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.6 p -98.83 156.58 35.4 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.392 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 115.33 4.26 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.462 1.77 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -127.0 151.93 47.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 109.274 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -45.85 -31.09 1.94 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.117 . . . . 0.0 110.325 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.553 ' O ' ' CE1' ' A' ' 80' ' ' PHE . 46.5 mt-10 -59.07 -32.53 69.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.305 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.466 ' SG ' ' HB2' ' A' ' 61' ' ' ALA . 61.7 m -72.63 -17.54 61.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.56 1.162 . . . . 0.0 108.277 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.588 HD11 ' HB3' ' A' ' 48' ' ' GLU . 2.5 tp -90.57 117.83 29.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.553 ' CE1' ' O ' ' A' ' 77' ' ' GLU . 23.9 m-85 -118.76 164.13 15.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.926 HD23 ' HG2' ' A' ' 48' ' ' GLU . 4.5 mt -104.19 127.17 51.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -108.68 148.41 30.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 110.255 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.74 166.63 30.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 110.326 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.474 HD13 ' N ' ' A' ' 85' ' ' GLU . 0.7 OUTLIER -95.63 121.64 37.54 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.568 ' HG3' HG23 ' A' ' 91' ' ' THR . 1.2 mm-40 -112.33 161.52 16.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.27 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -63.69 175.57 1.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.4 m-20 63.54 13.45 7.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 2.7 t60 60.22 63.8 1.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.137 . . . . 0.0 109.595 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.553 ' CE1' HD12 ' A' ' 128' ' ' LEU . 2.7 m-85 -142.89 152.57 42.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.965 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -113.72 155.18 26.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.568 HG23 ' HG3' ' A' ' 85' ' ' GLU . 31.5 p -126.95 163.25 24.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 110.407 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.769 ' CE2' HD21 ' A' ' 9' ' ' LEU . 45.3 m-85 -142.24 133.18 25.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 111.037 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.597 HD11 ' CE2' ' A' ' 103' ' ' PHE . 46.1 mt -137.3 139.21 44.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.8 t -61.99 138.27 58.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.964 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 24.7 tttt -73.66 -48.73 30.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.51 ' HB3' ' CD2' ' A' ' 97' ' ' HIS . 0.7 OUTLIER -63.63 -27.62 69.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.527 ' CD2' ' N ' ' A' ' 97' ' ' HIS . 0.5 OUTLIER -121.13 37.8 4.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.597 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.54 -44.39 82.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -69.77 -12.2 61.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.321 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.534 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 13.2 mttt -83.11 -9.84 59.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.452 1.095 . . . . 0.0 109.345 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 49.61 63.67 2.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.534 ' CD1' ' O ' ' A' ' 100' ' ' LYS . 48.3 m0 -112.97 132.18 55.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 108.009 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.597 ' CE2' HD11 ' A' ' 93' ' ' ILE . 84.2 m-85 -114.25 149.16 36.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.538 HG22 HD21 ' A' ' 68' ' ' LEU . 23.8 t -75.15 -22.0 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.519 ' HA2' ' CE2' ' A' ' 127' ' ' PHE . . . -32.93 147.94 0.01 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.493 1.121 . . . . 0.0 110.984 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.717 HD21 ' CD1' ' A' ' 18' ' ' LEU . 1.0 OUTLIER -107.29 154.13 21.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 0.766 . . . . 0.0 109.318 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 111' ' ' SER . 34.3 mttm -60.97 -164.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.41 ' HG2' ' CA ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER -108.8 -6.23 15.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.26 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -92.69 5.01 52.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 84.26 31.83 24.39 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.513 1.133 . . . . 0.0 111.014 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.471 ' O ' ' N ' ' A' ' 107' ' ' LYS . 95.7 p -129.82 167.53 17.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 0.786 . . . . 0.0 109.99 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 16.1 p -76.2 135.55 39.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 108.288 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.731 ' CD ' HG22 ' A' ' 118' ' ' THR . 9.8 ttmm -89.78 114.48 26.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.336 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 113' ' ' LYS . 0.8 OUTLIER -38.85 131.78 1.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 110.267 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.543 ' N ' ' CD ' ' A' ' 116' ' ' PRO . . . -52.77 -48.53 56.57 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.461 1.1 . . . . 0.0 111.027 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.543 ' CD ' ' N ' ' A' ' 115' ' ' GLY . 18.4 Cg_endo -75.01 6.01 3.65 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.513 1.796 . . . . 0.0 110.973 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -116.42 8.27 14.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.306 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.731 HG22 ' CD ' ' A' ' 113' ' ' LYS . 1.3 p -114.52 152.55 31.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 110.412 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -163.1 -166.52 1.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.629 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -89.18 135.86 33.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 115.73 -14.51 17.27 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.53 1.144 . . . . 0.0 110.95 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -87.95 153.45 21.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 0.761 . . . . 0.0 110.343 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -95.74 20.66 9.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -99.9 -45.31 5.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.565 ' HB ' ' CD2' ' A' ' 103' ' ' PHE . 5.1 pt -56.89 -32.43 38.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 42.4 mt -62.54 123.81 19.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.571 ' CE1' ' HB3' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -137.89 137.05 37.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.985 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.857 HD23 ' HD2' ' A' ' 129' ' ' PRO . 0.7 OUTLIER -121.87 120.73 28.4 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . 0.857 ' HD2' HD23 ' A' ' 128' ' ' LEU . 18.2 Cg_endo -74.98 106.81 2.35 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.503 1.791 . . . . 0.0 111.01 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.56 HD22 ' O ' ' A' ' 128' ' ' LEU . 2.7 mm? -87.41 149.02 45.85 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.351 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 130' ' ' LEU . 18.2 Cg_endo -74.99 133.14 16.24 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.51 1.794 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.521 ' CG2' HD11 ' A' ' 8' ' ' LEU . 0.3 OUTLIER -140.5 167.72 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.5 t 43.76 84.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.153 . . . . 0.0 110.006 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.97 163.19 8.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.008 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -176.61 130.76 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.522 HD22 ' HA ' ' A' ' 136' ' ' LEU . 0.2 OUTLIER -49.93 178.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.426 ' H ' HD13 ' A' ' 136' ' ' LEU . 0.8 OUTLIER -179.88 -66.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.322 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 67.77 104.82 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.646 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 3.3 p-80 -62.14 146.82 49.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.594 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -69.04 -74.03 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.599 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 79.9 153.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.6 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 26.8 t-80 -130.19 -69.4 0.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.573 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.614 179.999 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.463 0.173 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 174.82 140.97 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 109.325 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -135.17 -174.46 3.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.981 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.17 -63.02 1.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -162.01 70.87 2.33 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 143.81 29.72 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.534 1.807 . . . . 0.0 111.027 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.623 ' HB3' HD22 ' A' ' 41' ' ' LEU . 1.3 tppt? -141.88 165.37 27.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.467 ' O ' ' HA ' ' A' ' 129' ' ' PRO . 15.2 mt -124.44 137.9 54.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.744 ' CD1' HD21 ' A' ' 41' ' ' LEU . 1.9 mp -92.3 107.51 19.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.336 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.467 ' O ' ' CD1' ' A' ' 127' ' ' PHE . 20.5 t80 -86.23 152.01 23.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.461 ' O ' ' N ' ' A' ' 15' ' ' GLY . 43.9 t -130.26 77.09 1.77 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 108.298 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 11' ' ' CYS . 11.1 p -35.12 -35.7 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.982 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 11' ' ' CYS . 24.9 t30 -42.0 -51.9 4.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -122.05 -36.37 0.71 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 11' ' ' CYS . . . 95.35 68.54 1.02 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 29.5 m80 -141.81 171.82 13.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 0.781 . . . . 0.0 109.618 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -111.27 141.92 44.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 111.022 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.812 ' CD1' HD21 ' A' ' 106' ' ' LEU . 13.0 tp -80.12 110.51 15.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.928 ' HB3' HG22 ' A' ' 37' ' ' ILE . 3.7 ptm180 -111.44 152.17 27.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.271 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.519 HD11 ' HB2' ' A' ' 60' ' ' LEU . 12.9 mt -124.37 118.58 54.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.62 HD12 ' HB ' ' A' ' 25' ' ' THR . 20.2 mt -85.16 156.77 60.06 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -3.1 13.42 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.498 1.789 . . . . 0.0 111.01 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.79 -2.31 51.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.48 41.88 7.64 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.536 1.148 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.62 ' HB ' HD12 ' A' ' 21' ' ' LEU . 3.0 m -122.36 147.7 45.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 0.771 . . . . 0.0 110.374 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 15.0 t -129.53 120.2 50.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -144.86 162.22 37.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -91.65 152.37 21.43 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.512 1.132 . . . . 0.0 111.03 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.67 ' CG2' HG21 ' A' ' 37' ' ' ILE . 5.9 t -156.36 126.54 6.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 0.0 110.383 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.6 ttt-85 -101.35 55.88 0.84 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.254 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' A' ' 33' ' ' SER . 1.7 t0 -143.99 101.96 3.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -68.47 60.55 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 31' ' ' ASP . 0.1 OUTLIER -134.25 -46.55 0.77 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.986 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.4 ' HB3' HG23 ' A' ' 37' ' ' ILE . 1.1 t0 -44.35 132.68 5.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -90.63 28.74 1.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 3.4 m80 -126.32 -44.26 1.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 0.0 109.612 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.928 HG22 ' HB3' ' A' ' 19' ' ' ARG . 41.3 pt -46.88 -28.64 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -62.16 82.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 110.34 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.844 HD23 ' HA ' ' A' ' 53' ' ' SER . 18.8 mt -90.92 147.28 23.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.568 ' HG3' HG21 ' A' ' 54' ' ' THR . 0.0 OUTLIER -105.28 114.87 29.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.936 ' CD1' HG23 ' A' ' 51' ' ' ILE . 0.1 OUTLIER -92.88 135.64 33.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.7 m -139.9 157.18 46.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.993 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -114.94 125.41 53.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.26 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -113.03 -39.0 4.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.262 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.22 165.17 20.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.02 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.2 p -66.32 118.48 9.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.03 11.71 84.88 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.473 1.108 . . . . 0.0 111.061 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.669 ' HB3' HD11 ' A' ' 79' ' ' LEU . 21.3 mt-10 -119.42 139.79 51.45 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 0.762 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.7 m -136.76 150.89 27.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.543 ' CE2' HD22 ' A' ' 79' ' ' LEU . 2.9 m-85 -117.92 131.67 56.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 110.953 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.936 HG23 ' CD1' ' A' ' 41' ' ' LEU . 2.6 mt -115.66 108.22 24.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.563 ' HE3' ' CE1' ' A' ' 59' ' ' TYR . 31.0 tttt -127.04 145.89 50.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.844 ' HA ' HD23 ' A' ' 39' ' ' LEU . 0.4 OUTLIER -79.06 136.51 37.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 110.016 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.568 HG21 ' HG3' ' A' ' 40' ' ' GLN . 66.5 p -92.75 2.92 56.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 110.433 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.1 tp10 -104.37 -73.92 0.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 32.2 p -64.27 -57.45 9.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.422 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 115.25 27.51 3.12 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -109.03 158.75 17.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 0.766 . . . . 0.0 110.308 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.563 ' CE1' ' HE3' ' A' ' 52' ' ' LYS . 25.0 m-85 -103.98 146.97 27.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.971 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.555 HD23 HD12 ' A' ' 51' ' ' ILE . 6.8 tp -81.5 116.28 21.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.415 ' HB2' ' SG ' ' A' ' 78' ' ' CYS . . . -138.2 153.96 49.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 40.5 ttm -111.83 116.63 30.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.45 -161.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 54.6 p -85.21 -31.2 23.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 110.401 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -57.55 -18.33 18.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.48 -4.96 67.14 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.509 1.131 . . . . 0.0 110.961 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.26 162.69 16.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 0.731 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.681 HD11 HG13 ' A' ' 104' ' ' VAL . 5.5 mt -99.27 144.74 28.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.552 ' CD1' ' C ' ' A' ' 69' ' ' TYR . 2.9 p90 -152.01 151.9 31.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -78.73 121.79 5.7 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.533 1.146 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.433 ' OG ' ' HB2' ' A' ' 59' ' ' TYR . 2.1 p -86.14 136.99 32.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 0.736 . . . . 0.0 110.042 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.509 HE21 HG23 ' A' ' 73' ' ' THR . 3.2 pt20 -68.14 -33.28 74.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.509 HG23 HE21 ' A' ' 72' ' ' GLN . 18.4 p -126.74 157.11 72.37 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.427 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 110.09 3.05 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.438 1.757 . . . . 0.0 111.008 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -125.65 157.55 36.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -46.36 -34.44 4.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 110.294 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -57.0 -27.39 61.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 110.262 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.415 ' SG ' ' HB2' ' A' ' 61' ' ' ALA . 37.1 m -80.39 -19.28 46.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 108.3 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.669 HD11 ' HB3' ' A' ' 48' ' ' GLU . 2.7 tp -86.58 119.93 27.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.411 ' HA ' ' O ' ' A' ' 93' ' ' ILE . 6.3 m-85 -115.72 164.45 14.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.578 HD21 ' HA ' ' A' ' 95' ' ' LYS . 0.3 OUTLIER -104.12 125.55 50.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -109.24 148.85 30.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.279 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.08 165.87 31.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.278 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -94.25 108.73 20.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.497 ' HG3' ' CG2' ' A' ' 91' ' ' THR . 2.5 mt-10 -99.43 155.7 17.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.168 . . . . 0.0 110.327 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -54.19 -173.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 110.295 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.2 m-20 55.45 20.23 3.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 2.6 t60 51.88 62.15 2.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.609 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.565 ' CD1' HD13 ' A' ' 128' ' ' LEU . 2.0 m-85 -142.44 163.95 31.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -115.3 161.99 17.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.497 ' CG2' ' HG3' ' A' ' 85' ' ' GLU . 1.4 p -131.46 165.82 22.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.422 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.429 ' CD1' ' O ' ' A' ' 91' ' ' THR . 39.5 m-85 -148.02 132.74 17.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.173 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.685 HD11 ' CE2' ' A' ' 103' ' ' PHE . 28.2 mt -134.87 147.0 29.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.54 138.41 44.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.033 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.578 ' HA ' HD21 ' A' ' 81' ' ' LEU . 12.5 tttp -62.9 -71.63 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.535 ' HB3' ' CD2' ' A' ' 97' ' ' HIS . 4.1 tttt -47.91 -30.0 3.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.545 ' CD2' ' N ' ' A' ' 97' ' ' HIS . 0.3 OUTLIER -118.91 58.33 0.85 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.596 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -98.55 -53.69 3.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.0 -23.46 19.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.539 ' HD3' ' CZ2' ' A' ' 102' ' ' TRP . 3.6 mtpt -76.08 -5.97 48.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 50.73 64.33 1.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.246 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.539 ' CZ2' ' HD3' ' A' ' 100' ' ' LYS . 47.5 m0 -112.54 131.53 55.55 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.685 ' CE2' HD11 ' A' ' 93' ' ' ILE . 80.6 m-85 -114.45 146.85 40.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 111.012 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.681 HG13 HD11 ' A' ' 68' ' ' LEU . 70.0 t -60.77 -94.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.571 ' HA2' ' CE1' ' A' ' 127' ' ' PHE . . . 54.56 167.22 0.03 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.524 1.14 . . . . 0.0 110.951 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.943 HD23 ' HA ' ' A' ' 112' ' ' CYS . 3.2 mt -137.38 133.67 35.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 0.767 . . . . 0.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 111' ' ' SER . 9.7 mtmt -51.49 -177.62 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.326 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.37 -6.37 58.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -91.77 16.08 11.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 65.36 30.69 78.26 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 107' ' ' LYS . 14.7 m -124.28 167.24 14.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 0.781 . . . . 0.0 110.05 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . 0.943 ' HA ' HD23 ' A' ' 106' ' ' LEU . 20.9 p -72.78 135.23 45.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 108.298 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.35 126.8 35.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.462 ' CB ' ' HG3' ' A' ' 117' ' ' ARG . 0.1 OUTLIER -38.34 144.46 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.456 ' C ' ' H ' ' A' ' 117' ' ' ARG . . . -64.89 -58.54 9.65 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.469 1.105 . . . . 0.0 110.997 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.415 ' HB3' ' NE1' ' A' ' 102' ' ' TRP . 18.2 Cg_endo -75.01 40.79 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.502 1.79 . . . . 0.0 110.967 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.462 ' HG3' ' CB ' ' A' ' 114' ' ' ARG . 7.2 mmt180 -143.61 19.1 1.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.317 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.7 p -114.9 163.07 16.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.361 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -167.49 176.35 6.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.669 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -81.95 124.23 29.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 111.06 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 122.76 -7.25 9.52 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.499 1.124 . . . . 0.0 111.068 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -91.72 149.4 21.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 0.0 110.309 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.555 ' HD3' HD12 ' A' ' 126' ' ' LEU . 0.1 OUTLIER -86.47 10.09 16.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -90.83 -44.85 9.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.426 ' O ' HG22 ' A' ' 91' ' ' THR . 1.2 pt -62.0 -35.86 70.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.555 HD12 ' HD3' ' A' ' 123' ' ' LYS . 16.2 mt -69.57 112.16 5.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.571 ' CE1' ' HA2' ' A' ' 105' ' ' GLY . 0.5 OUTLIER -124.45 144.76 49.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.999 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.565 HD13 ' CD1' ' A' ' 89' ' ' TYR . 4.9 tp -129.58 117.18 18.53 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . 0.467 ' HA ' ' O ' ' A' ' 8' ' ' LEU . 18.1 Cg_endo -75.05 107.97 2.61 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.506 1.793 . . . . 0.0 110.979 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.428 ' HA ' ' HD3' ' A' ' 131' ' ' PRO . 81.4 mt -88.21 133.19 37.4 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 130' ' ' LEU . 18.4 Cg_endo -74.99 134.01 17.31 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.507 1.793 . . . . 0.0 111.001 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 4.3 p -116.76 -4.78 11.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.257 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 134' ' ' SER . 0.1 OUTLIER -168.09 130.25 1.47 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.158 . . . . 0.0 109.972 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 133' ' ' SER . 2.0 m -39.41 158.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.982 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -157.74 147.33 20.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.89 HD13 ' C ' ' A' ' 136' ' ' LEU . 0.0 OUTLIER -56.25 -179.44 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.258 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.762 ' N ' HD22 ' A' ' 136' ' ' LEU . 3.7 mt-10 -38.99 -86.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -153.29 -68.17 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.563 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 11.2 p-80 -166.79 151.99 7.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.621 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -60.84 163.2 5.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.608 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -125.82 176.57 6.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.587 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 33.2 p-80 -150.07 172.12 15.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.572 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.555 -179.979 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 CA-C-O 120.556 0.217 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -136.18 137.39 40.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 0.0 109.268 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -98.19 111.2 23.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 111.019 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 45.08 86.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.88 77.15 69.22 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 174.29 13.05 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.482 1.78 . . . . 0.0 110.975 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.413 ' CD ' ' HB2' ' A' ' 129' ' ' PRO . 0.1 OUTLIER -144.71 160.77 40.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.36 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.521 HD11 ' HB ' ' A' ' 132' ' ' VAL . 4.1 mt -121.94 141.46 51.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.2 mt -93.68 112.24 24.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.351 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.449 ' CB ' ' O ' ' A' ' 128' ' ' LEU . 36.5 t80 -86.58 148.26 25.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 110.995 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 15' ' ' GLY . 52.4 t -133.1 77.63 1.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 108.3 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 13' ' ' ASN . 10.9 t -38.18 -37.48 0.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.995 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.48 ' ND2' ' HB2' ' A' ' 124' ' ' ALA . 7.4 t30 -38.33 -43.41 0.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -131.98 -41.74 0.19 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.481 1.113 . . . . 0.0 110.995 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 11' ' ' CYS . . . 101.5 55.47 0.9 Allowed Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.571 ' CD2' ' HG2' ' A' ' 30' ' ' ARG . 12.4 m80 -130.56 167.21 19.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 0.0 109.618 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -111.82 141.85 44.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 111.008 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.742 ' CD1' HD21 ' A' ' 106' ' ' LEU . 13.5 tp -79.1 120.47 23.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.911 ' HB3' HG22 ' A' ' 37' ' ' ILE . 4.5 ptm180 -121.53 155.21 35.49 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.156 . . . . 0.0 110.308 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.756 HD11 ' HB2' ' A' ' 60' ' ' LEU . 25.3 mt -123.89 128.07 74.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.487 HD12 ' HB ' ' A' ' 25' ' ' THR . 18.6 mt -97.28 157.5 34.79 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.428 ' HB3' HG21 ' A' ' 56' ' ' THR . 18.3 Cg_endo -74.97 0.76 8.5 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.54 1.811 . . . . 0.0 110.969 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -100.96 10.12 41.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.58 45.55 44.96 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.429 1.081 . . . . 0.0 110.962 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.487 ' HB ' HD12 ' A' ' 21' ' ' LEU . 2.7 m -126.61 147.62 49.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 0.765 . . . . 0.0 110.426 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.7 t -135.25 121.45 32.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -145.37 162.42 37.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -88.89 145.7 18.81 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.484 1.115 . . . . 0.0 110.974 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.571 ' CG2' HG21 ' A' ' 37' ' ' ILE . 3.8 t -148.27 142.65 26.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 0.741 . . . . 0.0 110.378 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.571 ' HG2' ' CD2' ' A' ' 16' ' ' HIS . 3.9 ptt180 -115.82 44.53 1.89 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -134.3 90.28 2.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.7 -38.43 1.43 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.321 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.43 -33.54 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.988 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.706 ' OD2' HG23 ' A' ' 37' ' ' ILE . 44.9 t0 -43.64 133.01 4.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -106.56 56.01 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 110.314 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.709 ' NE2' HG23 ' A' ' 56' ' ' THR . 1.7 t-80 -164.49 -43.5 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.595 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.911 HG22 ' HB3' ' A' ' 19' ' ' ARG . 50.0 pt -41.53 -28.92 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.435 ' N ' ' C ' ' A' ' 36' ' ' HIS . 58.8 mt-30 -62.07 92.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 110.294 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 53' ' ' SER . 72.1 mt -104.61 147.19 27.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.462 ' HB2' ' CG2' ' A' ' 54' ' ' THR . 0.0 OUTLIER -105.53 116.86 32.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 110.243 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.77 136.05 33.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 50' ' ' TYR . 3.6 m -133.82 161.01 35.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 110.008 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -119.13 126.23 51.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 109.337 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.446 ' HG2' ' OG ' ' A' ' 45' ' ' SER . 0.6 OUTLIER -108.38 -45.8 3.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.278 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.446 ' OG ' ' HG2' ' A' ' 44' ' ' GLU . 0.9 OUTLIER -127.64 166.33 18.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.008 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.3 p -60.85 122.91 12.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.8 7.86 76.07 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.521 1.138 . . . . 0.0 111.032 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.743 ' HB3' HD11 ' A' ' 79' ' ' LEU . 14.7 mt-10 -114.82 134.62 54.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 0.774 . . . . 0.0 110.317 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.596 ' O ' HD12 ' A' ' 79' ' ' LEU . 24.9 m -132.11 159.45 43.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.418 ' N ' ' O ' ' A' ' 42' ' ' SER . 1.8 m-85 -127.51 131.79 50.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.962 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.7 mt -115.54 113.54 43.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.452 ' HD3' ' CE1' ' A' ' 59' ' ' TYR . 16.6 ttpt -130.72 151.1 51.53 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.451 ' HA ' HD23 ' A' ' 39' ' ' LEU . 0.6 OUTLIER -82.49 136.24 34.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.019 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.462 ' CG2' ' HB2' ' A' ' 40' ' ' GLN . 45.8 p -97.31 8.42 44.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.406 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.436 ' HB3' ' CE1' ' A' ' 36' ' ' HIS . 23.8 tp10 -101.4 -69.19 0.79 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.133 . . . . 0.0 110.338 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.709 HG23 ' NE2' ' A' ' 36' ' ' HIS . 80.4 p -84.29 -50.15 8.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.369 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 114.5 43.28 0.77 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.449 1.093 . . . . 0.0 110.979 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -116.74 137.76 51.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 0.788 . . . . 0.0 110.268 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.452 ' CE1' ' HD3' ' A' ' 52' ' ' LYS . 97.6 m-85 -84.67 142.3 29.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 111.01 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.756 ' HB2' HD11 ' A' ' 20' ' ' ILE . 1.3 tp -82.73 117.64 22.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.416 ' HB2' ' SG ' ' A' ' 78' ' ' CYS . . . -139.11 152.55 47.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 45.3 ttm -107.98 116.13 31.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 111.029 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.571 ' CG ' ' CE2' ' A' ' 69' ' ' TYR . 1.7 m-20 -69.39 -172.64 0.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 67.4 p -76.84 -20.45 56.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.377 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.429 ' CB ' HD22 ' A' ' 67' ' ' LEU . 61.7 m-20 -67.72 -12.22 60.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.95 -10.11 75.02 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.429 HD22 ' CB ' ' A' ' 65' ' ' ASP . 0.4 OUTLIER -87.19 168.38 13.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 0.777 . . . . 0.0 109.322 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.63 HD11 HG13 ' A' ' 104' ' ' VAL . 2.0 mt -103.22 144.71 30.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.571 ' CE2' ' CG ' ' A' ' 63' ' ' ASP . 4.2 p90 -145.03 156.04 43.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 111.045 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -78.73 111.73 3.31 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.511 1.132 . . . . 0.0 110.978 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.02 117.98 25.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 0.756 . . . . 0.0 109.967 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -54.53 -57.71 10.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.9 p -100.96 157.02 34.45 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.363 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 116.56 4.62 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.462 1.769 . . . . 0.0 110.983 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 -126.78 157.42 39.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -47.77 -28.76 2.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.295 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.47 ' O ' ' CE1' ' A' ' 80' ' ' PHE . 39.8 mt-10 -63.89 -31.37 72.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.339 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.416 ' SG ' ' HB2' ' A' ' 61' ' ' ALA . 57.5 m -73.93 -16.97 61.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 108.321 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.743 HD11 ' HB3' ' A' ' 48' ' ' GLU . 6.7 tp -89.17 124.2 34.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.345 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.535 ' C ' HD13 ' A' ' 81' ' ' LEU . 17.0 m-85 -124.11 165.4 17.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 110.992 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.535 HD13 ' C ' ' A' ' 80' ' ' PHE . 0.4 OUTLIER -103.6 125.74 50.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.82 147.57 31.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.54 165.02 34.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.732 ' O ' HD13 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -92.69 115.11 27.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.628 ' HG3' HG23 ' A' ' 91' ' ' THR . 1.2 mt-10 -104.67 145.21 30.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -52.0 -179.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 62.6 m-20 60.74 15.5 5.9 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.536 1.147 . . . . 0.0 109.271 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER 60.66 60.24 1.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.591 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.736 ' CE1' HD12 ' A' ' 128' ' ' LEU . 14.2 m-85 -141.87 158.29 43.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -122.95 153.03 40.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.333 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.628 HG23 ' HG3' ' A' ' 85' ' ' GLU . 21.0 p -125.86 155.32 41.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.425 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -134.87 132.67 38.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.602 HD11 ' CE2' ' A' ' 103' ' ' PHE . 50.0 mt -130.02 138.12 54.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.2 t -67.75 138.21 56.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.437 1.086 . . . . 0.0 110.025 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.43 ' C ' ' N ' ' A' ' 97' ' ' HIS . 11.5 tttm -63.86 -74.71 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.545 ' HB3' ' CD2' ' A' ' 97' ' ' HIS . 4.9 mttt -40.9 -29.64 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.545 ' CD2' ' HB3' ' A' ' 96' ' ' LYS . 0.3 OUTLIER -122.71 57.74 1.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.62 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -91.52 -43.22 9.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -67.62 -16.56 64.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.328 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.565 ' HD2' ' CZ2' ' A' ' 102' ' ' TRP . 13.1 mttt -78.09 -7.15 56.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 49.31 64.23 1.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.163 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.565 ' CZ2' ' HD2' ' A' ' 100' ' ' LYS . 49.0 m0 -112.55 131.69 55.48 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.602 ' CE2' HD11 ' A' ' 93' ' ' ILE . 86.9 m-85 -116.71 148.16 41.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 110.984 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.63 HG13 HD11 ' A' ' 68' ' ' LEU . 19.8 t -87.03 108.37 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.567 ' HA2' ' CE1' ' A' ' 127' ' ' PHE . . . -146.2 152.1 24.25 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.503 1.127 . . . . 0.0 110.958 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.8 HD23 ' HA ' ' A' ' 112' ' ' CYS . 10.3 mt -118.29 159.6 23.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 0.761 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.99 -177.43 4.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -67.75 -25.46 65.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 17.8 t30 -84.73 9.51 13.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 109.274 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 63.02 41.18 99.93 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.475 1.11 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.442 ' O ' ' HA ' ' A' ' 106' ' ' LEU . 0.7 OUTLIER -115.96 143.8 44.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.433 0.725 . . . . 0.0 109.97 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . 0.8 ' HA ' HD23 ' A' ' 106' ' ' LEU . 6.9 p -65.91 134.47 53.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 108.277 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 114' ' ' ARG . 1.4 ttmm -90.89 129.78 36.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.466 ' CB ' ' HG3' ' A' ' 117' ' ' ARG . 0.0 OUTLIER -38.27 124.91 1.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.306 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.58 ' N ' ' CD ' ' A' ' 116' ' ' PRO . . . -54.4 -46.34 72.91 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.482 1.114 . . . . 0.0 110.964 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.58 ' CD ' ' N ' ' A' ' 115' ' ' GLY . 18.1 Cg_endo -75.02 5.44 3.99 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.528 1.804 . . . . 0.0 110.988 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.466 ' HG3' ' CB ' ' A' ' 114' ' ' ARG . 3.4 mmm180 -116.04 39.8 2.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.274 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 19.3 p -125.48 166.54 16.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 110.422 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.691 ' O ' HD13 ' A' ' 125' ' ' ILE . 0.2 OUTLIER -175.06 177.12 2.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.613 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -86.21 136.15 33.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 0.0 110.962 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 111.44 -11.04 28.41 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -86.48 154.83 20.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.779 . . . . 0.0 110.305 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 5.4 tppt? -93.81 14.1 20.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.48 ' HB2' ' ND2' ' A' ' 13' ' ' ASN . . . -95.73 -52.05 4.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.691 HD13 ' O ' ' A' ' 119' ' ' HIS . 2.7 pt -59.54 -33.72 52.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.342 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 96.3 mt -64.45 100.9 0.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.567 ' CE1' ' HA2' ' A' ' 105' ' ' GLY . 1.1 m-30 -112.72 132.99 54.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.976 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.77 HD23 ' HD2' ' A' ' 129' ' ' PRO . 0.8 OUTLIER -114.1 118.91 41.61 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . 0.77 ' HD2' HD23 ' A' ' 128' ' ' LEU . 18.2 Cg_endo -75.05 114.18 3.96 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.512 1.796 . . . . 0.0 110.991 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 131' ' ' PRO . 80.5 mt -102.67 131.67 22.1 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.334 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 130' ' ' LEU . 18.5 Cg_endo -74.95 148.21 35.21 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.507 1.793 . . . . 0.0 111.033 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.521 ' HB ' HD11 ' A' ' 8' ' ' LEU . 9.8 p -143.64 163.34 15.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.3 t 63.73 179.95 0.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.011 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.68 162.83 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.956 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -136.24 127.64 28.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 109.332 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.23 174.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.097 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 68.38 76.83 0.25 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -160.96 151.84 18.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.648 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 64.22 168.28 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.541 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -101.64 136.79 40.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.577 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -100.42 -173.04 2.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.564 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 1.6 m170 59.89 113.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.563 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 3.3 m170 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.632 179.951 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 ttt . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.534 0.207 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -140.54 117.98 11.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 32.5 p90 -144.33 118.62 9.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -122.64 47.81 1.88 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -111.49 152.13 43.75 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.823 ' O ' HG12 ' A' ' 132' ' ' VAL . 18.3 Cg_endo -75.03 134.14 17.4 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.509 1.794 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.5 ' CG ' ' O ' ' A' ' 130' ' ' LEU . 0.0 OUTLIER -144.7 168.18 20.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.556 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -106.65 147.96 28.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 73.6 mt -92.94 104.33 16.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -86.19 109.01 18.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 15' ' ' GLY . 43.1 t -87.6 79.95 8.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 0.0 108.307 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 11' ' ' CYS . 3.5 p -36.55 -34.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.002 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 11' ' ' CYS . 28.7 t30 -42.61 -53.01 4.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -120.92 -35.93 0.8 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.47 1.106 . . . . 0.0 111.014 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 11' ' ' CYS . . . 95.49 78.52 1.42 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.452 ' ND1' ' C ' ' A' ' 15' ' ' GLY . 52.4 m80 -155.81 168.79 26.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.75 . . . . 0.0 109.609 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.556 ' CD1' ' HB3' ' A' ' 8' ' ' LEU . 18.0 m-85 -111.43 143.79 41.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.759 HD12 HD21 ' A' ' 106' ' ' LEU . 10.5 tp -76.83 116.07 17.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.788 ' HB2' HG22 ' A' ' 37' ' ' ILE . 25.3 ttp180 -109.3 144.21 37.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.329 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.488 HG22 ' NE2' ' A' ' 58' ' ' GLN . 11.5 mt -124.81 104.38 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.505 HD12 ' HB ' ' A' ' 25' ' ' THR . 18.6 mt -76.92 157.03 82.14 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -1.78 11.68 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.505 1.792 . . . . 0.0 111.0 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.93 7.8 44.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.94 37.7 37.83 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.542 1.152 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.505 ' HB ' HD12 ' A' ' 21' ' ' LEU . 3.5 m -117.01 146.36 43.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 0.789 . . . . 0.0 110.359 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 19' ' ' ARG . 2.7 t -135.13 115.21 18.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -148.25 160.82 42.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -78.07 151.07 36.47 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.529 1.143 . . . . 0.0 111.004 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.696 ' CG2' HG21 ' A' ' 37' ' ' ILE . 7.0 t -156.94 116.04 3.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 0.77 . . . . 0.0 110.409 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.9 ttt-85 -92.81 50.12 1.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -132.55 92.85 3.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.22 -22.53 6.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.133 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.18 -30.82 62.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.005 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.452 ' OD2' ' NH1' ' A' ' 19' ' ' ARG . 0.4 OUTLIER -65.85 128.44 36.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -98.12 9.67 42.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.427 1.08 . . . . 0.0 110.321 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.562 ' CD2' ' HG2' ' A' ' 55' ' ' GLU . 5.9 m80 -96.66 -29.81 13.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.573 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.788 HG22 ' HB2' ' A' ' 19' ' ' ARG . 17.6 pt -64.8 -21.49 29.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.423 ' HG2' HG11 ' A' ' 132' ' ' VAL . 11.4 mt-30 -60.66 81.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.596 HD13 HG22 ' A' ' 51' ' ' ILE . 17.2 mt -86.87 146.99 25.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.345 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.471 ' HB2' ' CG2' ' A' ' 54' ' ' THR . 0.0 OUTLIER -105.63 115.88 30.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 110.342 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.44 136.45 33.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.9 m -136.25 155.85 49.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.979 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -119.91 128.71 53.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.447 ' CD ' ' N ' ' A' ' 44' ' ' GLU . 3.2 mm-40 -109.05 -54.34 2.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 110.319 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -129.3 165.8 20.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 110.01 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 77.2 t -61.98 115.13 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.412 ' O ' ' HA ' ' A' ' 81' ' ' LEU . . . 88.47 16.22 59.05 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.547 1.154 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.482 ' OE1' HD21 ' A' ' 79' ' ' LEU . 15.8 mt-10 -128.56 136.86 51.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 0.738 . . . . 0.0 110.284 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.558 ' O ' HD12 ' A' ' 79' ' ' LEU . 10.3 m -145.01 150.92 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.576 ' CE1' ' HB2' ' A' ' 79' ' ' LEU . 1.6 m-85 -117.3 144.49 44.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.596 HG22 HD13 ' A' ' 39' ' ' LEU . 6.5 mt -126.2 107.93 18.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.55 ' HG3' ' CD1' ' A' ' 59' ' ' TYR . 17.6 tttt -129.33 146.72 51.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.47 ' HA ' HD23 ' A' ' 39' ' ' LEU . 0.4 OUTLIER -80.77 137.39 36.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.026 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.471 ' CG2' ' HB2' ' A' ' 40' ' ' GLN . 63.8 p -90.82 -10.89 41.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.419 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.562 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 3.3 tp10 -86.3 -76.28 0.35 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.088 . . . . 0.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 28.7 p -68.33 -53.28 25.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.43 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 108.82 45.3 1.05 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.49 1.119 . . . . 0.0 110.979 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.488 ' NE2' HG22 ' A' ' 20' ' ' ILE . 5.3 mt-30 -119.76 153.94 34.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 0.791 . . . . 0.0 110.289 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.55 ' CD1' ' HG3' ' A' ' 52' ' ' LYS . 58.9 m-85 -99.05 135.97 39.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 111.007 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.0 tp -76.96 119.97 21.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.587 ' HB2' ' SG ' ' A' ' 78' ' ' CYS . . . -140.31 151.36 44.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 31.6 ttm -106.38 116.14 31.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.06 -165.57 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 12.6 p -86.01 -7.52 58.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.418 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.461 ' HB3' ' CD1' ' A' ' 67' ' ' LEU . 0.8 OUTLIER -84.62 -6.02 59.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.284 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.442 ' HA3' ' CD ' ' A' ' 116' ' ' PRO . . . 82.29 1.78 90.47 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' A' ' 65' ' ' ASP . 4.4 mp -91.39 168.02 11.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 0.756 . . . . 0.0 109.347 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.905 HD11 HG13 ' A' ' 104' ' ' VAL . 9.4 mt -106.96 132.45 52.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.565 ' CD1' ' C ' ' A' ' 69' ' ' TYR . 2.2 p90 -142.85 150.98 40.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 111.033 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -82.69 124.9 6.7 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.506 1.129 . . . . 0.0 110.96 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.6 t -91.24 140.16 30.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 0.777 . . . . 0.0 109.958 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -63.2 -38.2 90.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.262 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.3 p -122.87 160.48 49.0 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.415 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 114.71 4.09 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.497 1.788 . . . . 0.0 111.024 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -125.66 157.36 37.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.432 1.083 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -49.39 -32.45 11.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.414 ' CG ' ' HD2' ' A' ' 96' ' ' LYS . 41.5 mt-10 -62.97 -22.02 66.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.587 ' SG ' ' HB2' ' A' ' 61' ' ' ALA . 66.6 m -83.23 -22.57 33.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.418 1.074 . . . . 0.0 108.288 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.576 ' HB2' ' CE1' ' A' ' 50' ' ' TYR . 49.1 tp -85.79 127.01 34.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.445 ' C ' HD13 ' A' ' 81' ' ' LEU . 5.8 m-85 -120.68 166.1 14.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.732 HD21 ' HA ' ' A' ' 95' ' ' LYS . 0.5 OUTLIER -102.74 122.91 45.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.433 ' HG2' ' N ' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -109.0 146.48 33.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 110.308 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.433 ' N ' ' HG2' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -151.74 149.79 29.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.258 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -92.06 107.34 19.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.925 ' OE2' HD22 ' A' ' 126' ' ' LEU . 2.6 pp20? -109.16 159.72 16.67 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' A' ' 85' ' ' GLU . 21.0 mt-10 -50.56 -178.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.288 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.424 HD22 HD13 ' A' ' 126' ' ' LEU . 1.0 OUTLIER 73.81 3.4 4.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.256 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 5.3 t60 58.57 52.47 6.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.599 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.518 ' CE1' HD22 ' A' ' 128' ' ' LEU . 3.6 m-85 -144.74 161.26 39.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.99 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -115.93 153.76 31.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.536 HG22 ' O ' ' A' ' 125' ' ' ILE . 0.9 OUTLIER -125.27 158.94 32.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.429 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -139.57 132.84 29.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.969 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.653 HD11 ' CE1' ' A' ' 103' ' ' PHE . 39.3 mt -135.8 138.28 47.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.3 t -59.08 143.34 48.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.037 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.732 ' HA ' HD21 ' A' ' 81' ' ' LEU . 1.4 tttm -78.89 -56.16 4.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.414 ' HD2' ' CG ' ' A' ' 77' ' ' GLU . 0.9 OUTLIER -43.54 -27.43 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.668 ' CE1' ' CZ3' ' A' ' 102' ' ' TRP . 30.8 m-70 -103.58 -93.13 0.34 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.587 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 97' ' ' HIS . . . 69.17 -62.68 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 97' ' ' HIS . 7.7 mt-10 -62.85 -13.15 30.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.334 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.551 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 8.5 mttm -90.23 -3.05 58.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 43.86 64.95 1.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.668 ' CZ3' ' CE1' ' A' ' 97' ' ' HIS . 45.3 m0 -111.9 131.63 55.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 108.042 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.653 ' CE1' HD11 ' A' ' 93' ' ' ILE . 94.9 m-85 -114.08 148.88 36.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 0.0 111.014 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.905 HG13 HD11 ' A' ' 68' ' ' LEU . 77.6 t -72.45 -91.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.446 ' N ' HG12 ' A' ' 104' ' ' VAL . . . 50.02 175.28 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.447 1.092 . . . . 0.0 111.007 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.987 HD23 ' HA ' ' A' ' 112' ' ' CYS . 6.4 mt -138.32 131.61 30.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.772 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 111' ' ' SER . 2.3 mtmp? -52.93 -174.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.66 -9.23 52.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -88.99 15.05 9.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 67.36 25.69 73.63 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.472 ' O ' ' N ' ' A' ' 107' ' ' LYS . 0.6 OUTLIER -119.46 166.81 12.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 0.0 110.021 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . 0.987 ' HA ' HD23 ' A' ' 106' ' ' LEU . 19.5 p -74.2 135.35 42.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 108.308 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.755 ' HD3' HG22 ' A' ' 118' ' ' THR . 1.6 ttmp? -90.25 117.16 28.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 113' ' ' LYS . 2.2 mpp_? -36.77 149.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.312 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.524 ' N ' ' CD ' ' A' ' 116' ' ' PRO . . . -70.13 -49.71 32.14 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.496 1.123 . . . . 0.0 110.946 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 115' ' ' GLY . 18.1 Cg_endo -75.05 4.32 4.87 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.57 1.826 . . . . 0.0 110.948 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 4.1 mmt-85 -112.78 23.48 13.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.313 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.755 HG22 ' HD3' ' A' ' 113' ' ' LYS . 1.7 p -131.07 152.78 50.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.404 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -151.91 -169.84 3.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.649 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -91.13 123.07 34.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 127.51 -6.92 7.06 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.522 1.139 . . . . 0.0 111.024 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -91.1 157.62 17.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 0.74 . . . . 0.0 110.341 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.409 ' HG2' ' N ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -95.95 13.54 26.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -91.4 -55.62 3.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.584 HG22 ' CB ' ' A' ' 103' ' ' PHE . 3.6 pt -48.81 -31.37 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.925 HD22 ' OE2' ' A' ' 85' ' ' GLU . 14.1 mt -73.04 131.02 41.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -138.93 150.71 46.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.518 HD22 ' CE1' ' A' ' 89' ' ' TYR . 5.9 tp -133.71 115.25 13.38 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . 0.44 ' HA ' ' O ' ' A' ' 8' ' ' LEU . 18.3 Cg_endo -74.98 124.56 8.73 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.438 1.757 . . . . 0.0 111.003 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.5 ' O ' ' CG ' ' A' ' 7' ' ' LYS . 4.0 mm? -99.12 142.51 24.74 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 116.65 4.64 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.476 1.777 . . . . 0.0 110.965 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.823 HG12 ' O ' ' A' ' 6' ' ' PRO . 2.5 p -114.62 -1.36 9.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.3 t -164.51 79.69 0.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.009 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.5 179.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.125 . . . . 0.0 110.014 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -134.33 121.36 21.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -112.29 -31.62 6.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -59.82 105.24 0.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 110.296 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -166.49 173.77 9.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.087 . . . . 0.0 109.593 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 76.04 -66.11 0.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.631 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 11.1 t-160 -68.99 78.8 0.32 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 109.648 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.449 ' CG ' ' O ' ' A' ' 141' ' ' HIS . 17.5 t60 -179.52 65.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.577 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -111.07 169.98 8.41 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.503 1.127 . . . . 0.0 109.578 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.601 179.987 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.533 0.206 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -104.35 118.0 35.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 109.338 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -94.11 90.34 6.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.5 90.65 8.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.405 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -156.34 141.91 12.66 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 109.266 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.46 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 18.4 Cg_endo -74.98 142.34 27.8 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.49 1.784 . . . . 0.0 111.032 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.426 ' C ' HD13 ' A' ' 8' ' ' LEU . 0.5 OUTLIER -144.97 158.43 43.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.29 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.656 HD21 ' HB ' ' A' ' 132' ' ' VAL . 0.2 OUTLIER -103.17 143.85 32.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.558 ' HB3' ' CD2' ' A' ' 127' ' ' PHE . 2.1 mp -91.5 104.44 16.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.474 ' HB2' ' CD2' ' A' ' 130' ' ' LEU . 20.8 t80 -74.62 151.73 39.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.975 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 12' ' ' SER . 39.3 t -135.51 70.13 1.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 108.31 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.46 ' C ' ' O ' ' A' ' 11' ' ' CYS . 17.2 t -34.81 -36.5 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.985 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.497 ' O ' ' CG ' ' A' ' 108' ' ' LYS . 29.4 t30 -41.8 -48.24 4.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.135 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 11' ' ' CYS . . . -125.77 -38.3 0.48 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.515 1.134 . . . . 0.0 111.017 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.549 ' O ' ' CG ' ' A' ' 16' ' ' HIS . . . 97.04 79.14 1.45 Allowed Glycine 0 CA--C 1.529 0.931 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.549 ' CG ' ' O ' ' A' ' 15' ' ' GLY . 66.2 m80 -162.7 153.64 17.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 0.749 . . . . 0.0 109.628 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.504 ' CG ' ' HB3' ' A' ' 8' ' ' LEU . 23.2 m-30 -101.15 142.54 32.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.147 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.891 ' CD1' HD21 ' A' ' 106' ' ' LEU . 12.3 tp -78.71 114.79 17.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.696 ' HB3' HG22 ' A' ' 37' ' ' ILE . 1.7 ptp180 -112.83 154.26 26.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.324 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.59 HD11 ' HB2' ' A' ' 60' ' ' LEU . 47.2 mt -124.43 117.04 49.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.488 HD21 ' HD2' ' A' ' 19' ' ' ARG . 22.4 mt -89.48 157.42 47.17 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 0.26 9.13 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.538 1.809 . . . . 0.0 111.008 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.37 11.46 39.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 70.27 47.45 44.11 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.452 1.095 . . . . 0.0 110.972 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.469 ' CG2' HD12 ' A' ' 21' ' ' LEU . 1.2 m -125.78 142.54 51.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 0.0 110.4 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.4 t -135.38 115.92 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.66 162.15 40.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -80.22 150.32 31.82 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.548 1.155 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.478 ' CG2' HG21 ' A' ' 37' ' ' ILE . 2.6 t -160.8 136.12 7.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 0.784 . . . . 0.0 110.343 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.15 41.14 3.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 110.269 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 33' ' ' SER . 24.6 t0 -93.44 -6.26 47.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.35 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 31' ' ' ASP . 13.0 mtm180 36.8 32.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 31' ' ' ASP . 0.3 OUTLIER -129.24 -44.12 1.28 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.961 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.24 123.64 3.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -82.79 53.38 2.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 110.287 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.439 ' C ' ' N ' ' A' ' 38' ' ' GLN . 38.3 m80 -145.65 -46.9 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.618 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.696 HG22 ' HB3' ' A' ' 19' ' ' ARG . 33.3 pt -41.63 -28.56 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.338 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.439 ' N ' ' C ' ' A' ' 36' ' ' HIS . 82.4 mt-30 -59.1 82.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.285 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.46 ' O ' ' HA ' ' A' ' 6' ' ' PRO . 18.2 mt -95.39 146.33 24.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -106.85 114.65 28.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 110.258 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -88.45 136.06 33.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.71 161.07 36.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.984 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -123.42 126.16 46.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.567 1.167 . . . . 0.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.433 ' HG2' ' OG ' ' A' ' 45' ' ' SER . 0.4 OUTLIER -110.38 -42.98 3.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 0.0 110.287 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.433 ' OG ' ' HG2' ' A' ' 44' ' ' GLU . 0.9 OUTLIER -128.54 165.9 19.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.057 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 11.0 p -66.14 119.14 10.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.63 2.15 89.98 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.459 1.1 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.621 ' HB3' HD11 ' A' ' 79' ' ' LEU . 32.9 mt-10 -114.29 138.42 50.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 0.758 . . . . 0.0 110.314 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.453 ' O ' HD12 ' A' ' 79' ' ' LEU . 34.0 m -134.81 155.65 38.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.762 ' CE2' HD13 ' A' ' 79' ' ' LEU . 4.8 m-85 -125.8 131.62 52.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.405 HG22 HD13 ' A' ' 39' ' ' LEU . 2.2 mt -114.69 119.56 61.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.402 ' HE3' ' CE1' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -135.57 144.88 46.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.411 ' HA ' HD23 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -80.4 135.23 36.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.009 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.1 p -90.49 -13.69 34.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.398 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -80.36 -69.54 0.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.27 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 56.0 p -79.35 -62.01 1.83 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.398 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 120.3 47.7 0.33 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.423 1.077 . . . . 0.0 111.03 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.422 ' NE2' HG22 ' A' ' 20' ' ' ILE . 5.6 mt-30 -122.93 137.83 54.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 0.783 . . . . 0.0 110.279 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.402 ' CE1' ' HE3' ' A' ' 52' ' ' LYS . 90.8 m-85 -84.5 139.8 31.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.59 ' HB2' HD11 ' A' ' 20' ' ' ILE . 8.8 tp -77.32 118.77 20.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.487 ' HB2' ' SG ' ' A' ' 78' ' ' CYS . . . -140.55 155.49 46.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 40.3 ttm -113.2 116.11 29.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.22 -164.62 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 69.8 p -85.73 -20.5 29.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.409 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.597 ' CB ' HD12 ' A' ' 67' ' ' LEU . 6.1 m-20 -69.9 -8.56 49.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 84.55 -0.95 89.2 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.489 1.118 . . . . 0.0 110.963 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.597 HD12 ' CB ' ' A' ' 65' ' ' ASP . 4.1 mp -87.66 173.51 8.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 0.776 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.444 HD21 HG22 ' A' ' 104' ' ' VAL . 10.0 mt -110.93 137.67 48.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.56 ' CD1' ' C ' ' A' ' 69' ' ' TYR . 2.1 p90 -149.29 163.13 38.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -94.12 123.91 7.67 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.554 1.159 . . . . 0.0 111.025 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 10.4 t -86.21 140.11 30.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 0.774 . . . . 0.0 109.989 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.26 -40.0 80.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.266 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.1 p -126.65 164.5 34.19 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.419 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 103.5 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.557 1.819 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -113.46 157.74 21.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.69 -24.24 2.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.303 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -67.33 -16.08 64.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 110.304 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.487 ' SG ' ' HB2' ' A' ' 61' ' ' ALA . 73.8 m -89.62 -14.27 35.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 108.305 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.762 HD13 ' CE2' ' A' ' 50' ' ' TYR . 3.7 tp -86.7 126.71 34.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.441 ' C ' HD13 ' A' ' 81' ' ' LEU . 12.3 m-85 -126.8 165.55 19.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.424 1.078 . . . . 0.0 111.021 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.47 ' CD1' ' HG2' ' A' ' 48' ' ' GLU . 0.7 OUTLIER -103.4 124.25 48.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.441 ' OE2' ' N ' ' A' ' 83' ' ' ARG . 2.8 tm-20 -108.7 150.27 27.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.293 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.441 ' N ' ' OE2' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -153.95 150.0 27.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.522 HD23 ' O ' ' A' ' 85' ' ' GLU . 5.1 tt -91.9 128.15 37.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.522 ' O ' HD23 ' A' ' 84' ' ' LEU . 36.0 mm-40 -97.79 158.36 15.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -82.27 50.58 1.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 110.285 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -159.95 27.45 0.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 22.5 t-160 52.42 48.61 22.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.549 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.503 ' CG ' ' HB3' ' A' ' 126' ' ' LEU . 2.2 m-85 -144.28 143.15 30.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -111.22 150.77 29.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.248 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.512 HG22 ' O ' ' A' ' 125' ' ' ILE . 34.4 p -127.44 164.64 21.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.405 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -144.82 133.38 22.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 111.015 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.537 HD11 ' CE2' ' A' ' 103' ' ' PHE . 59.9 mt -132.2 133.73 60.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.7 t -59.54 140.03 56.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.008 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.88 -68.48 0.38 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.551 ' HB3' ' CD2' ' A' ' 97' ' ' HIS . 0.0 OUTLIER -47.06 -28.95 1.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.553 ' CD2' ' N ' ' A' ' 97' ' ' HIS . 0.2 OUTLIER -121.99 53.61 1.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.563 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -92.93 -35.86 13.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.54 -10.29 59.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.273 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.506 ' HD2' ' CZ2' ' A' ' 102' ' ' TRP . 30.6 mttt -90.06 -5.34 56.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 51.77 64.68 1.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.506 ' CZ2' ' HD2' ' A' ' 100' ' ' LYS . 46.2 m0 -112.28 131.58 55.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 108.021 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.578 ' CD2' ' HB ' ' A' ' 125' ' ' ILE . 70.0 m-85 -114.13 148.84 36.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.484 ' O ' ' C ' ' A' ' 105' ' ' GLY . 37.9 t -72.59 -20.59 19.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.57 ' HA2' ' CE1' ' A' ' 127' ' ' PHE . . . -30.61 145.61 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.891 HD21 ' CD1' ' A' ' 18' ' ' LEU . 1.2 mt -107.02 160.34 15.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 0.765 . . . . 0.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 111' ' ' SER . 7.8 mmmt -63.96 -157.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.497 ' CG ' ' O ' ' A' ' 13' ' ' ASN . 0.6 OUTLIER -117.74 -6.26 11.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 14.8 m-20 -96.31 13.41 27.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 77.18 40.51 24.24 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.499 1.125 . . . . 0.0 111.03 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 107' ' ' LYS . 0.6 OUTLIER -137.83 162.62 33.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 0.778 . . . . 0.0 109.989 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . 0.755 ' HA ' HD23 ' A' ' 106' ' ' LEU . 26.1 p -78.09 135.05 37.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 108.296 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.632 ' HD3' HG22 ' A' ' 118' ' ' THR . 0.4 OUTLIER -90.94 119.03 30.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -38.44 137.93 0.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.33 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.477 ' C ' ' H ' ' A' ' 117' ' ' ARG . . . -52.75 -56.32 18.82 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.495 1.122 . . . . 0.0 111.033 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.416 ' O ' ' HG2' ' A' ' 117' ' ' ARG . 18.1 Cg_endo -75.0 38.13 0.51 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.496 1.787 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.477 ' H ' ' C ' ' A' ' 115' ' ' GLY . 5.1 mtm180 -144.65 18.01 1.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.297 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.632 HG22 ' HD3' ' A' ' 113' ' ' LYS . 3.1 p -117.04 161.35 19.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.371 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.548 ' O ' HD13 ' A' ' 125' ' ' ILE . 2.5 m-70 -166.07 -170.97 1.86 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.617 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -92.49 136.88 32.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 111.023 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 113.46 -5.26 24.8 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -97.81 152.06 19.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 0.772 . . . . 0.0 110.292 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.796 ' HD3' HD12 ' A' ' 126' ' ' LEU . 8.2 tppt? -90.16 5.29 47.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.254 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.4 ' HB2' ' ND2' ' A' ' 13' ' ' ASN . . . -83.86 -44.37 14.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.578 ' HB ' ' CD2' ' A' ' 103' ' ' PHE . 4.0 pt -64.21 -35.99 75.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.796 HD12 ' HD3' ' A' ' 123' ' ' LYS . 73.8 mt -66.19 107.14 1.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.57 ' CE1' ' HA2' ' A' ' 105' ' ' GLY . 1.6 m-30 -118.64 130.54 55.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 111.002 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.825 HD23 ' HD2' ' A' ' 129' ' ' PRO . 0.7 OUTLIER -114.07 118.75 41.9 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . 0.825 ' HD2' HD23 ' A' ' 128' ' ' LEU . 18.2 Cg_endo -74.96 120.89 6.27 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.55 1.816 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.501 ' CD2' ' O ' ' A' ' 128' ' ' LEU . 3.8 mm? -101.91 142.77 25.26 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 130' ' ' LEU . 18.2 Cg_endo -75.07 139.52 24.21 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.48 1.779 . . . . 0.0 110.988 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.656 ' HB ' HD21 ' A' ' 8' ' ' LEU . 1.4 p -141.15 147.97 21.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 2.8 t 57.13 109.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.98 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 22.2 p -124.17 154.98 39.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.992 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -163.94 -43.33 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -105.79 -79.4 0.56 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 52.84 91.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.273 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -171.78 101.96 0.18 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.61 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -129.24 156.4 44.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.629 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 4.7 m80 -134.62 174.35 10.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.138 . . . . 0.0 109.591 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -143.63 163.16 34.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.592 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -81.42 172.46 13.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.58 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.592 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.526 0.203 . . . . 0.0 110.954 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -142.88 116.61 9.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -59.23 118.34 5.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -170.72 168.16 7.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 76.11 78.71 0.15 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.405 ' O ' HG12 ' A' ' 132' ' ' VAL . 18.3 Cg_endo -74.96 -179.91 5.44 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.498 1.789 . . . . 0.0 111.046 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.36 161.38 39.77 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.468 ' O ' ' HA ' ' A' ' 129' ' ' PRO . 0.7 OUTLIER -120.59 137.06 54.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.696 HD21 HD11 ' A' ' 41' ' ' LEU . 3.5 mm? -91.14 110.32 21.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.478 ' CZ ' ' HA ' ' A' ' 12' ' ' SER . 12.7 t80 -85.14 127.3 34.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.991 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 13' ' ' ASN . 16.8 t -109.43 74.03 0.88 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 108.328 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.478 ' HA ' ' CZ ' ' A' ' 10' ' ' TYR . 45.9 t -38.11 -31.12 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.105 . . . . 0.0 110.021 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 11' ' ' CYS . 54.9 t30 -40.71 -65.87 0.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.142 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -115.1 -18.81 6.15 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.534 1.146 . . . . 0.0 110.982 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 84.66 70.75 1.33 Allowed Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 43.6 m80 -148.61 152.69 37.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 0.753 . . . . 0.0 109.578 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.427 ' HE1' HD12 ' A' ' 130' ' ' LEU . 19.2 m-85 -100.55 141.96 32.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 111.02 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 1.039 HD12 HD21 ' A' ' 106' ' ' LEU . 10.0 tp -78.48 118.23 20.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.887 ' HB3' HG22 ' A' ' 37' ' ' ILE . 3.3 ptm180 -120.43 153.94 35.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.559 HD11 ' HB2' ' A' ' 60' ' ' LEU . 34.6 mt -124.63 112.96 34.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.337 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.55 HD12 ' HB ' ' A' ' 25' ' ' THR . 26.9 mt -78.33 157.65 77.64 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.495 ' HB3' HG22 ' A' ' 56' ' ' THR . 18.3 Cg_endo -75.04 -8.47 20.05 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.531 1.806 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -90.53 8.17 35.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.86 43.04 29.04 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.517 1.136 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.55 ' HB ' HD12 ' A' ' 21' ' ' LEU . 4.8 m -123.0 147.71 46.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 0.771 . . . . 0.0 110.405 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.5 t -131.2 118.32 40.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.11 . . . . 0.0 109.328 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -147.6 160.39 42.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.94 155.41 33.16 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.451 1.094 . . . . 0.0 111.003 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.673 ' CG2' HG21 ' A' ' 37' ' ' ILE . 1.5 t -161.04 143.98 12.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.768 . . . . 0.0 110.374 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 21.0 ptt-85 -125.13 13.06 8.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.302 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.516 ' O ' ' N ' ' A' ' 33' ' ' SER . 2.0 t0 -68.82 -21.45 64.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.461 ' O ' ' N ' ' A' ' 34' ' ' ASP . 5.3 mtm180 66.22 -61.2 0.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.576 1.173 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.516 ' N ' ' O ' ' A' ' 31' ' ' ASP . 0.3 OUTLIER -38.5 -30.13 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.013 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 32' ' ' ARG . 0.2 OUTLIER -43.03 120.02 1.68 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.325 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -92.92 41.18 1.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.241 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.468 ' ND1' ' N ' ' A' ' 36' ' ' HIS . 0.0 OUTLIER -140.04 -46.73 0.44 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.611 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.887 HG22 ' HB3' ' A' ' 19' ' ' ARG . 26.8 pt -39.46 -32.78 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.412 ' N ' ' C ' ' A' ' 36' ' ' HIS . 74.8 mt-30 -54.49 88.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.272 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 37' ' ' ILE . 51.3 mt -98.87 146.98 25.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.569 ' HG3' HG21 ' A' ' 54' ' ' THR . 0.0 OUTLIER -106.15 117.5 34.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.316 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.696 HD11 HD21 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -90.49 136.15 33.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.419 ' O ' ' HA ' ' A' ' 49' ' ' VAL . 4.0 m -135.41 160.69 37.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.928 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -123.63 126.55 46.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -109.97 -46.44 3.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.242 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.58 165.45 18.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.137 . . . . 0.0 110.026 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.9 p -63.64 121.75 13.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.57 6.53 88.96 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.452 1.095 . . . . 0.0 111.026 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.677 ' HB3' HD11 ' A' ' 79' ' ' LEU . 13.6 mt-10 -116.0 142.91 46.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 0.765 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.419 ' HA ' ' O ' ' A' ' 42' ' ' SER . 25.6 m -141.31 155.06 20.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -123.89 134.27 53.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.3 mt -116.39 115.51 49.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.355 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.25 148.16 52.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.4 m -79.78 137.13 36.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.976 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.569 HG21 ' HG3' ' A' ' 40' ' ' GLN . 72.6 p -94.05 -3.31 51.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 110.374 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -103.82 -66.85 0.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.319 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.495 HG22 ' HB3' ' A' ' 22' ' ' PRO . 4.1 p -68.34 -64.53 0.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.397 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 114.66 50.71 0.48 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -134.4 141.0 46.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 0.742 . . . . 0.0 110.337 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -84.58 139.58 32.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 110.978 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.559 ' HB2' HD11 ' A' ' 20' ' ' ILE . 6.9 tp -77.25 118.33 19.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.443 ' HB2' ' SG ' ' A' ' 78' ' ' CYS . . . -139.44 150.44 45.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 34.8 ttm -104.68 119.8 39.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.37 173.43 9.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.14 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 77.3 p -68.24 -19.46 64.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.372 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.529 ' HB3' HD13 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -71.89 -6.73 43.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.424 ' O ' ' HA ' ' A' ' 114' ' ' ARG . . . 83.26 7.42 86.75 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.529 HD13 ' HB3' ' A' ' 65' ' ' ASP . 5.3 mp -99.82 167.21 10.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 0.741 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.764 HD11 HG13 ' A' ' 104' ' ' VAL . 21.6 mt -104.69 142.2 35.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.569 ' CD1' ' C ' ' A' ' 69' ' ' TYR . 1.6 p90 -153.15 150.35 28.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 111.03 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -81.78 123.29 6.0 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.453 1.095 . . . . 0.0 111.003 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.7 t -88.56 140.16 29.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 0.753 . . . . 0.0 109.998 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -63.86 -37.61 88.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 110.283 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.2 p -124.2 160.8 50.76 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.386 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 109.42 2.93 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.487 1.782 . . . . 0.0 111.027 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -120.24 157.12 29.79 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.454 1.096 . . . . 0.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.99 -29.81 3.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.095 . . . . 0.0 110.302 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -60.88 -26.6 67.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.443 ' SG ' ' HB2' ' A' ' 61' ' ' ALA . 39.7 m -81.23 -15.48 55.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 108.238 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.677 HD11 ' HB3' ' A' ' 48' ' ' GLU . 2.9 tp -86.51 118.82 26.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -117.71 165.03 14.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 111.02 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.774 HD22 ' O ' ' A' ' 93' ' ' ILE . 0.4 OUTLIER -103.71 124.99 49.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.08 142.52 39.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -146.77 166.41 26.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -92.73 110.75 22.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.779 ' CD ' HG21 ' A' ' 91' ' ' THR . 15.1 mt-10 -107.45 144.12 34.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.276 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.507 ' O ' ' CB ' ' A' ' 87' ' ' ASN . 30.9 mt-10 -47.01 172.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.269 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.507 ' CB ' ' O ' ' A' ' 86' ' ' GLU . 14.9 t-20 82.53 -0.33 1.33 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 1.1 t60 70.47 39.91 1.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.592 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.733 ' HA ' HD23 ' A' ' 128' ' ' LEU . 9.3 m-85 -131.95 167.87 18.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -113.51 173.48 6.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.779 HG21 ' CD ' ' A' ' 85' ' ' GLU . 2.7 p -140.05 166.72 23.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.388 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.595 ' CD1' ' O ' ' A' ' 91' ' ' THR . 25.1 m-85 -147.2 133.12 19.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.774 ' O ' HD22 ' A' ' 81' ' ' LEU . 54.5 mt -136.93 135.64 48.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.463 ' O ' ' HB2' ' A' ' 98' ' ' ALA . 0.4 OUTLIER -63.85 138.76 58.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.985 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.671 ' HG3' HD11 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -65.09 -67.97 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.521 ' HB3' ' CD2' ' A' ' 97' ' ' HIS . 10.7 tttt -50.53 -29.67 11.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.552 ' CD2' ' N ' ' A' ' 97' ' ' HIS . 0.2 OUTLIER -120.58 59.3 0.91 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.448 1.092 . . . . 0.0 109.582 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.463 ' HB2' ' O ' ' A' ' 94' ' ' SER . . . -102.03 -51.47 3.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.253 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -55.09 -22.54 16.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 110.286 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.522 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 2.4 mtpt -78.18 0.01 26.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 44.91 64.7 1.29 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.522 ' CD1' ' O ' ' A' ' 100' ' ' LYS . 46.8 m0 -111.87 131.81 55.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 107.995 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.674 ' CE1' HD11 ' A' ' 93' ' ' ILE . 98.1 m-85 -114.27 144.45 43.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.764 HG13 HD11 ' A' ' 68' ' ' LEU . 67.7 t -62.5 -84.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 104' ' ' VAL . . . 51.1 173.04 0.01 OUTLIER Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.517 1.135 . . . . 0.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 1.039 HD21 HD12 ' A' ' 18' ' ' LEU . 8.9 mt -138.6 132.42 31.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 0.788 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 111' ' ' SER . 15.9 mttt -54.64 -170.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 22.1 mtmt -97.09 -8.57 29.94 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -89.98 13.38 14.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.342 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 69.61 39.8 78.05 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.483 1.115 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 107' ' ' LYS . 0.6 OUTLIER -136.44 165.29 26.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 0.782 . . . . 0.0 110.003 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . 0.971 ' HA ' HD23 ' A' ' 106' ' ' LEU . 29.8 p -71.17 135.55 47.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 108.331 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.48 ' HD3' HG22 ' A' ' 118' ' ' THR . 4.0 tttp -89.89 124.36 34.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.477 ' O ' HG23 ' A' ' 118' ' ' THR . 0.0 OUTLIER -36.13 152.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.521 ' N ' ' CD ' ' A' ' 116' ' ' PRO . . . -74.9 -49.74 9.7 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.455 1.097 . . . . 0.0 111.039 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.521 ' CD ' ' N ' ' A' ' 115' ' ' GLY . 18.2 Cg_endo -75.03 5.06 4.22 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.563 1.823 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.443 ' HG3' ' CB ' ' A' ' 114' ' ' ARG . 8.2 mmt180 -115.46 39.76 2.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.288 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.555 HG21 ' O ' ' A' ' 103' ' ' PHE . 16.6 p -125.46 168.47 13.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.412 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -147.52 158.43 43.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.603 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -90.47 114.44 26.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 111.049 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 125.3 -0.38 8.14 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.509 1.131 . . . . 0.0 111.011 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -86.57 154.66 20.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 0.782 . . . . 0.0 110.325 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.884 ' HA ' HD12 ' A' ' 126' ' ' LEU . 2.7 ttmp? -80.61 -4.97 56.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.52 -64.06 1.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.595 1.185 . . . . 0.0 109.285 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.5 HG22 ' CB ' ' A' ' 103' ' ' PHE . 6.9 pt -45.31 -26.74 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.24 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.884 HD12 ' HA ' ' A' ' 123' ' ' LYS . 48.6 mt -70.86 128.16 35.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -133.75 142.91 48.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.733 HD23 ' HA ' ' A' ' 89' ' ' TYR . 0.1 OUTLIER -132.81 115.93 14.58 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . 0.468 ' HA ' ' O ' ' A' ' 8' ' ' LEU . 18.2 Cg_endo -75.02 117.45 4.91 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.464 1.771 . . . . 0.0 111.022 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.427 HD12 ' HE1' ' A' ' 17' ' ' PHE . 58.1 mt -89.64 141.87 28.89 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 119.48 5.66 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.558 1.82 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.435 ' CG2' HD11 ' A' ' 8' ' ' LEU . 1.2 p -125.42 144.96 33.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 134' ' ' SER . 3.3 t 77.98 -69.44 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.013 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 133' ' ' SER . 0.3 OUTLIER 54.16 104.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.978 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 136' ' ' LEU . 0.8 OUTLIER -154.38 135.99 14.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.403 ' O ' ' O ' ' A' ' 135' ' ' ASP . 0.1 OUTLIER 45.36 -169.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.09 . . . . 0.0 109.32 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.403 ' CB ' ' O ' ' A' ' 136' ' ' LEU . 0.9 OUTLIER 167.57 97.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 110.277 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -52.15 161.77 0.57 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.61 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -173.45 158.16 3.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.605 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -138.57 147.64 43.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.628 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 37.1 p-80 -78.13 -62.69 1.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.603 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 41.5 t-80 59.82 167.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.61 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.108 . . . . 0.0 109.546 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.534 0.207 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 26.9 t30 -144.91 -58.53 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 52.54 97.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.97 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.5 -68.77 0.68 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.409 ' N ' ' HD3' ' A' ' 6' ' ' PRO . 2.9 ttpt 56.25 64.46 4.97 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.409 ' HD3' ' N ' ' A' ' 5' ' ' LYS . 18.5 Cg_endo -74.92 147.29 34.1 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.452 1.764 . . . . 0.0 111.013 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -143.96 156.83 44.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.658 HD11 ' CG2' ' A' ' 132' ' ' VAL . 1.8 mt -108.84 141.12 41.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.62 HD11 HD13 ' A' ' 51' ' ' ILE . 28.9 mt -91.46 115.96 28.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.553 ' HB2' HD23 ' A' ' 130' ' ' LEU . 61.6 t80 -102.15 120.97 41.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.563 1.164 . . . . 0.0 111.005 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 13' ' ' ASN . 7.2 t -88.48 77.68 8.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 108.3 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.49 ' OG ' ' CG ' ' A' ' 123' ' ' LYS . 80.5 p -37.97 -30.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.957 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 11' ' ' CYS . 34.6 t30 -47.02 -47.98 22.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -123.79 -38.3 0.54 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.479 1.112 . . . . 0.0 111.042 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 11' ' ' CYS . . . 98.98 76.37 1.25 Allowed Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 70.2 m80 -151.34 156.96 41.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 0.0 109.625 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -103.25 143.28 32.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.977 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.531 ' CD1' HD21 ' A' ' 106' ' ' LEU . 15.9 tp -77.44 114.57 16.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.659 ' HB2' HG22 ' A' ' 37' ' ' ILE . 17.8 ttp180 -109.25 141.95 40.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 110.249 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 8.8 mt -123.67 115.65 45.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.484 HD12 ' HB ' ' A' ' 25' ' ' THR . 20.3 mt -90.34 157.51 44.79 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -8.55 20.2 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.546 1.814 . . . . 0.0 110.983 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.66 7.5 33.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.43 40.64 32.46 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.498 1.124 . . . . 0.0 111.02 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.484 ' HB ' HD12 ' A' ' 21' ' ' LEU . 3.5 m -121.82 142.93 49.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 0.751 . . . . 0.0 110.429 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.472 ' CG2' ' O ' ' A' ' 68' ' ' LEU . 9.8 t -135.2 119.08 25.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -148.21 162.35 39.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.342 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -79.2 149.62 32.68 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.569 ' CG2' HG21 ' A' ' 37' ' ' ILE . 5.4 t -161.13 106.37 1.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.771 . . . . 0.0 110.446 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.8 41.92 1.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.343 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 33' ' ' SER . 2.1 t70 -95.42 -15.44 22.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 33' ' ' SER . 3.1 mtm105 66.4 -60.79 0.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 31' ' ' ASP . 0.4 OUTLIER -35.47 -38.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.556 ' OD2' HG21 ' A' ' 29' ' ' THR . 0.4 OUTLIER -47.53 144.25 3.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.09 . . . . 0.0 109.317 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 70.5 mm-40 -107.47 -27.6 10.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 110.318 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 16.5 m80 -67.43 -14.65 63.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.577 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.659 HG22 ' HB2' ' A' ' 19' ' ' ARG . 37.0 pt -73.61 -26.5 21.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.36 102.95 0.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.743 HD23 ' HA ' ' A' ' 53' ' ' SER . 21.6 mt -114.82 146.92 40.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.813 ' HG2' HG22 ' A' ' 54' ' ' THR . 0.0 OUTLIER -105.36 114.95 29.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.304 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.39 136.24 33.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 50' ' ' TYR . 6.3 m -139.75 156.77 46.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 110.011 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -116.26 127.25 54.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -110.07 -47.55 3.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.317 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.16 166.02 14.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.948 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 49.9 t -66.45 119.71 12.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.414 ' O ' ' HA ' ' A' ' 81' ' ' LEU . . . 80.15 7.92 88.09 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.51 1.132 . . . . 0.0 111.009 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.639 ' HB3' HD11 ' A' ' 79' ' ' LEU . 22.9 mt-10 -118.39 140.56 49.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 0.784 . . . . 0.0 110.28 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.3 m -134.43 163.3 37.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.594 ' CE2' HD13 ' A' ' 79' ' ' LEU . 3.8 m-85 -131.15 131.93 44.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 111.037 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.62 HD13 HD11 ' A' ' 9' ' ' LEU . 3.2 mt -113.39 115.47 49.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.403 ' HG2' ' N ' ' A' ' 53' ' ' SER . 7.3 tttp -128.59 143.66 51.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.743 ' HA ' HD23 ' A' ' 39' ' ' LEU . 1.1 t -79.25 127.69 32.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.014 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.813 HG22 ' HG2' ' A' ' 40' ' ' GLN . 63.0 p -84.99 8.75 16.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 110.396 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -111.04 -67.84 0.97 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.286 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 26.6 p -74.66 -45.16 46.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.37 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 99.57 33.68 5.26 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -108.93 165.78 11.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 0.746 . . . . 0.0 110.326 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -108.15 138.22 44.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 111.023 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.508 HD11 HD21 ' A' ' 18' ' ' LEU . 7.6 tp -77.14 115.9 17.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -136.87 148.72 47.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 33.9 ttm -104.72 115.91 31.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 111.033 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.411 ' CG ' ' CE2' ' A' ' 69' ' ' TYR . 0.4 OUTLIER -68.53 -167.41 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 43.1 p -83.72 -10.19 58.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.418 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.568 ' CB ' HD12 ' A' ' 67' ' ' LEU . 34.9 m-20 -85.34 -4.59 59.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.462 ' HA3' ' CD ' ' A' ' 116' ' ' PRO . . . 81.17 2.09 90.31 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.48 1.112 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.568 HD12 ' CB ' ' A' ' 65' ' ' ASP . 3.9 mp -87.01 164.95 16.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 0.76 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 1.002 HD11 HG13 ' A' ' 104' ' ' VAL . 23.2 mt -106.74 126.08 51.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.551 ' CD1' ' C ' ' A' ' 69' ' ' TYR . 2.8 p90 -136.89 163.11 31.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 111.013 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -92.54 127.68 9.07 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 111.029 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.6 t -92.49 140.58 29.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 0.795 . . . . 0.0 109.971 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -73.09 -34.22 66.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.2 p -121.22 158.44 53.02 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.405 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 113.14 3.72 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.461 1.769 . . . . 0.0 111.05 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -126.62 154.2 44.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.61 -25.73 1.25 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 110.245 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.509 ' O ' ' CE1' ' A' ' 80' ' ' PHE . 41.4 mt-10 -62.62 -30.39 71.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.097 . . . . 0.0 110.343 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 55.9 m -77.08 -16.86 59.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 108.329 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.639 HD11 ' HB3' ' A' ' 48' ' ' GLU . 2.4 tp -90.43 120.42 31.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.256 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.509 ' CE1' ' O ' ' A' ' 77' ' ' GLU . 20.8 m-85 -121.17 164.14 17.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 111.004 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.848 HD22 ' O ' ' A' ' 93' ' ' ILE . 0.1 OUTLIER -104.55 126.19 51.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.401 ' HA ' ' O ' ' A' ' 91' ' ' THR . 7.0 tm-20 -109.05 152.56 24.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 110.331 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.55 165.16 37.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.302 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.748 HD13 ' N ' ' A' ' 85' ' ' GLU . 0.3 OUTLIER -97.52 133.25 42.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.748 ' N ' HD13 ' A' ' 84' ' ' LEU . 2.0 mt-10 -114.78 166.19 12.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.407 ' O ' ' O ' ' A' ' 85' ' ' GLU . 0.6 OUTLIER -45.77 172.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.306 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 66.36 -83.93 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.593 ' O ' HD11 ' A' ' 128' ' ' LEU . 0.2 OUTLIER 170.37 41.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.597 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.898 ' CD1' HD13 ' A' ' 128' ' ' LEU . 24.4 m-85 -112.47 164.21 13.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 111.019 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -121.51 162.05 21.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 109.276 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' A' ' 82' ' ' GLU . 0.6 OUTLIER -131.97 167.12 20.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 110.434 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -147.49 132.86 18.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.848 ' O ' HD22 ' A' ' 81' ' ' LEU . 54.8 mt -133.19 140.95 45.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.41 ' O ' ' N ' ' A' ' 98' ' ' ALA . 8.8 t -73.26 138.07 45.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.963 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.416 ' HG3' HD11 ' A' ' 81' ' ' LEU . 1.4 tttt -62.87 -76.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.548 ' HB3' ' CD2' ' A' ' 97' ' ' HIS . 7.3 mttt -43.05 -30.15 0.41 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.162 . . . . 0.0 109.264 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.548 ' CD2' ' HB3' ' A' ' 96' ' ' LYS . 0.3 OUTLIER -123.39 59.26 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.58 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.496 ' HA ' ' CG2' ' A' ' 93' ' ' ILE . . . -95.56 -55.63 2.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -54.91 -20.07 8.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 110.28 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -74.41 -3.69 32.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 48.7 65.44 1.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.351 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 43.9 m0 -111.3 138.27 47.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 108.011 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -121.72 149.29 43.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 111.035 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 1.002 HG13 HD11 ' A' ' 68' ' ' LEU . 24.6 t -91.43 91.7 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -126.74 166.46 19.52 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.472 1.108 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.964 HD23 ' HA ' ' A' ' 112' ' ' CYS . 2.6 mt -128.61 133.66 48.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 0.778 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 111' ' ' SER . 0.7 OUTLIER -55.55 -172.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -94.09 -9.59 36.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.262 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -91.73 21.44 4.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 63.93 32.91 85.77 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.526 1.141 . . . . 0.0 110.962 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 107' ' ' LYS . 0.4 OUTLIER -120.77 165.25 15.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 0.768 . . . . 0.0 109.989 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . 0.964 ' HA ' HD23 ' A' ' 106' ' ' LEU . 21.8 p -76.25 134.24 39.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 108.258 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.468 ' HD3' HG22 ' A' ' 118' ' ' THR . 7.0 tttp -91.43 112.43 24.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.443 ' CB ' ' HG3' ' A' ' 117' ' ' ARG . 1.8 mpp_? -37.21 134.52 0.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.48 ' C ' ' H ' ' A' ' 117' ' ' ARG . . . -56.77 -52.51 50.29 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.511 1.132 . . . . 0.0 111.047 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.477 ' CD ' ' N ' ' A' ' 115' ' ' GLY . 18.4 Cg_endo -75.01 35.66 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.482 1.78 . . . . 0.0 111.027 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.48 ' H ' ' C ' ' A' ' 115' ' ' GLY . 6.7 mmm180 -142.86 19.95 1.98 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.342 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.468 HG22 ' HD3' ' A' ' 113' ' ' LYS . 1.0 OUTLIER -118.88 164.67 15.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.387 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -147.69 166.07 28.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.565 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -85.03 114.28 22.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 110.967 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 132.11 -13.51 5.22 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.469 1.105 . . . . 0.0 110.987 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -81.05 162.58 23.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 0.764 . . . . 0.0 110.307 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.888 ' HA ' HD12 ' A' ' 126' ' ' LEU . 5.4 ttmt -89.31 -0.39 57.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.78 -61.1 2.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 4.4 pt -52.66 -26.9 11.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.145 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.888 HD12 ' HA ' ' A' ' 123' ' ' LYS . 37.7 mt -71.57 107.99 4.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.576 ' CZ ' ' O ' ' A' ' 104' ' ' VAL . 1.3 m-30 -116.01 126.4 53.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.898 HD13 ' CD1' ' A' ' 89' ' ' TYR . 3.0 tp -107.46 115.68 59.08 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . 0.449 ' HA ' ' O ' ' A' ' 8' ' ' LEU . 18.1 Cg_endo -75.01 120.54 6.11 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.496 1.787 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.553 HD23 ' HB2' ' A' ' 10' ' ' TYR . 3.9 mm? -97.7 134.63 22.19 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 130' ' ' LEU . 18.4 Cg_endo -74.94 104.3 1.88 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.483 1.78 . . . . 0.0 110.962 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.658 ' CG2' HD11 ' A' ' 8' ' ' LEU . 0.5 OUTLIER -97.64 1.69 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.5 64.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.984 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 64.2 p -53.13 -173.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.985 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -150.98 -171.34 3.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -94.29 -77.91 0.45 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 54.55 77.24 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.325 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -86.39 -62.4 1.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.583 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 10.5 p80 -166.68 -52.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.618 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -150.61 -60.72 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.579 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -172.48 132.09 0.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.572 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -81.49 129.2 34.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 109.603 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.564 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.257 0 CA-C-O 120.471 0.177 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -87.89 126.24 34.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -126.76 55.23 1.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 111.048 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.6 mtmm 52.25 -177.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 70.08 69.48 0.38 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.423 ' HG2' ' CG1' ' A' ' 132' ' ' VAL . 18.3 Cg_endo -75.0 -178.3 4.07 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.497 1.788 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.36 153.44 42.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.142 . . . . 0.0 109.333 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.447 ' O ' ' HA ' ' A' ' 129' ' ' PRO . 0.3 OUTLIER -110.46 144.14 39.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.872 HD21 HD11 ' A' ' 41' ' ' LEU . 21.8 mt -91.79 122.89 34.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.487 ' O ' ' CD1' ' A' ' 127' ' ' PHE . 8.9 t80 -96.21 160.15 14.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 111.046 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 13' ' ' ASN . 46.5 t -138.95 74.68 1.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 108.312 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 11' ' ' CYS . 1.4 p -37.08 -32.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.021 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 11' ' ' CYS . 15.4 t30 -40.34 -67.06 0.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.571 1.169 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -115.55 -22.31 4.8 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.504 1.127 . . . . 0.0 110.968 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 11' ' ' CYS . . . 86.86 75.24 1.27 Allowed Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.512 ' CD2' ' HG2' ' A' ' 30' ' ' ARG . 12.0 m80 -143.71 159.73 41.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 0.751 . . . . 0.0 109.581 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -106.9 140.02 40.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.967 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.701 HD13 HD21 ' A' ' 106' ' ' LEU . 16.7 tp -78.69 115.59 18.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.775 ' HB3' HG22 ' A' ' 37' ' ' ILE . 2.2 ptm180 -116.46 150.46 37.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.349 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.637 HD11 ' HB2' ' A' ' 60' ' ' LEU . 9.5 mt -124.36 113.15 35.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 109.269 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.675 HD21 ' NE ' ' A' ' 19' ' ' ARG . 18.7 mt -80.47 156.45 73.44 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -2.72 12.9 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.49 1.784 . . . . 0.0 111.04 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.52 2.83 55.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.0 43.93 8.5 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.477 1.11 . . . . 0.0 110.966 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.506 ' HB ' HD12 ' A' ' 21' ' ' LEU . 3.0 m -123.93 144.88 49.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 0.773 . . . . 0.0 110.371 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.543 HG11 HD11 ' A' ' 60' ' ' LEU . 4.0 t -134.78 117.49 23.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -148.36 162.09 40.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 110' ' ' GLY . . . -86.35 151.83 24.85 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.513 1.133 . . . . 0.0 110.949 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.403 HG21 ' OD2' ' A' ' 34' ' ' ASP . 1.3 t -158.42 148.36 19.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 0.779 . . . . 0.0 110.402 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.512 ' HG2' ' CD2' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -130.89 48.89 2.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.298 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 33' ' ' SER . 4.2 t0 -105.14 -17.84 14.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 109.264 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 34' ' ' ASP . 7.1 mtm180 65.21 -65.89 0.15 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.559 1.162 . . . . 0.0 110.266 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 31' ' ' ASP . 0.2 OUTLIER -36.54 -33.56 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.995 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 32' ' ' ARG . 3.0 t0 -43.69 127.68 5.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.403 ' O ' ' OE1' ' A' ' 55' ' ' GLU . 41.6 mm-40 -101.6 35.42 2.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 110.323 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.416 ' CD2' ' HG2' ' A' ' 55' ' ' GLU . 40.2 m80 -142.89 17.61 1.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.161 . . . . 0.0 109.638 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.775 HG22 ' HB3' ' A' ' 19' ' ' ARG . 19.8 pt -106.09 -18.94 6.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -67.89 98.65 0.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.295 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 81.9 mt -106.27 147.0 29.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.467 ' HB2' ' CG2' ' A' ' 54' ' ' THR . 0.0 OUTLIER -106.52 114.65 28.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.872 HD11 HD21 ' A' ' 9' ' ' LEU . 0.5 OUTLIER -93.25 136.21 33.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.415 ' O ' ' HA ' ' A' ' 49' ' ' VAL . 3.2 m -141.32 159.69 41.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.995 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -116.52 129.01 55.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.555 1.16 . . . . 0.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.426 ' HG2' ' OG ' ' A' ' 45' ' ' SER . 0.5 OUTLIER -113.15 -41.12 3.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 110.254 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.426 ' OG ' ' HG2' ' A' ' 44' ' ' GLU . 0.9 OUTLIER -128.53 165.99 19.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.432 1.082 . . . . 0.0 109.985 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.1 t -63.97 117.12 4.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.44 1.088 . . . . 0.0 109.316 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.18 9.38 86.67 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.463 1.102 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.557 ' HB3' HD11 ' A' ' 79' ' ' LEU . 23.6 mt-10 -116.56 140.93 48.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 0.762 . . . . 0.0 110.304 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.415 ' HA ' ' O ' ' A' ' 42' ' ' SER . 19.9 m -137.74 152.54 26.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.425 ' CE2' HD22 ' A' ' 79' ' ' LEU . 1.3 m-85 -122.33 132.69 54.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.477 HD12 HD23 ' A' ' 60' ' ' LEU . 4.7 mt -112.44 125.18 69.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -135.35 140.84 45.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.26 121.38 24.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.043 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.467 ' CG2' ' HB2' ' A' ' 40' ' ' GLN . 68.4 p -81.45 -3.6 53.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.358 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.416 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 11.0 tp10 -99.74 -69.61 0.76 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 22.2 p -70.38 -62.37 1.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.425 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 120.29 38.88 0.66 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -121.92 164.8 16.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 0.747 . . . . 0.0 110.294 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -108.13 141.05 40.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.637 ' HB2' HD11 ' A' ' 20' ' ' ILE . 7.3 tp -77.02 113.05 14.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.105 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.439 ' HB2' ' SG ' ' A' ' 78' ' ' CYS . . . -134.69 152.47 51.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 36.6 tpp -104.11 136.93 42.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.529 ' CG ' ' CE2' ' A' ' 69' ' ' TYR . 0.7 OUTLIER -91.52 -170.38 2.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 58.0 p -81.45 -21.12 39.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.429 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.464 ' CB ' HD22 ' A' ' 67' ' ' LEU . 2.2 m-20 -77.38 -2.88 37.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 81.51 -2.44 82.4 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.538 1.149 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.464 HD22 ' CB ' ' A' ' 65' ' ' ASP . 0.5 OUTLIER -85.67 156.26 20.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 0.792 . . . . 0.0 109.313 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.49 HD11 HG13 ' A' ' 104' ' ' VAL . 35.3 mt -96.15 142.17 28.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.554 ' CD1' ' C ' ' A' ' 69' ' ' TYR . 2.9 p90 -151.06 162.19 41.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.975 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -93.98 130.41 10.3 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.8 t -96.08 139.89 31.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 0.784 . . . . 0.0 110.023 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -70.33 -34.9 73.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.3 p -120.59 159.06 49.86 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.415 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 111.79 3.41 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.501 1.79 . . . . 0.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -124.53 154.57 40.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.41 -25.4 1.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.323 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.426 ' O ' ' CE1' ' A' ' 80' ' ' PHE . 25.2 mt-10 -65.11 -27.82 69.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.097 . . . . 0.0 110.295 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.439 ' SG ' ' HB2' ' A' ' 61' ' ' ALA . 63.6 m -79.56 -15.63 57.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 108.288 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.557 HD11 ' HB3' ' A' ' 48' ' ' GLU . 2.0 tp -89.8 124.87 35.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.588 ' C ' HD13 ' A' ' 81' ' ' LEU . 13.0 m-85 -125.0 165.04 18.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.575 1.172 . . . . 0.0 110.997 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.811 HD22 ' O ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -103.93 129.73 51.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.319 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.55 146.18 36.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.322 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.499 ' HG3' ' N ' ' A' ' 84' ' ' LEU . 16.1 tpt180 -143.86 151.08 39.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.499 ' N ' ' HG3' ' A' ' 83' ' ' ARG . 0.6 OUTLIER -95.45 126.26 40.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.493 ' N ' HD13 ' A' ' 84' ' ' LEU . 5.2 mm-40 -99.52 160.72 14.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.247 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -83.83 51.09 1.95 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -158.08 26.55 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 59.2 m-70 53.37 43.41 31.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.566 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.44 ' CE1' HD12 ' A' ' 128' ' ' LEU . 4.3 m-85 -143.81 143.69 31.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.437 ' N ' ' OD1' ' A' ' 90' ' ' ASN . 0.7 OUTLIER -114.48 156.86 23.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 109.352 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.487 HG22 ' O ' ' A' ' 125' ' ' ILE . 60.5 p -126.67 170.67 11.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 110.361 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.475 ' HE2' HD22 ' A' ' 9' ' ' LEU . 30.9 m-85 -143.64 133.12 23.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.811 ' O ' HD22 ' A' ' 81' ' ' LEU . 16.6 mt -131.27 140.3 48.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.6 t -66.49 138.74 57.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 109.981 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.789 ' HG3' HD11 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -67.3 -72.46 0.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.573 ' HB3' ' CD2' ' A' ' 97' ' ' HIS . 2.6 tttt -44.26 -29.14 0.61 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 109.254 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.573 ' CD2' ' HB3' ' A' ' 96' ' ' LYS . 0.2 OUTLIER -122.02 51.14 1.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.615 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -84.15 -48.08 10.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -65.97 -10.52 40.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.278 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.542 ' HD2' ' CZ2' ' A' ' 102' ' ' TRP . 14.4 mttt -83.12 -9.7 59.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 52.71 63.77 2.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.165 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.567 ' CD1' ' C ' ' A' ' 115' ' ' GLY . 46.0 m0 -113.21 131.83 55.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 107.994 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.58 ' CE2' HD11 ' A' ' 93' ' ' ILE . 64.8 m-85 -116.78 148.96 40.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.985 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.549 ' CG1' HD22 ' A' ' 18' ' ' LEU . 8.3 t -76.49 -17.72 14.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.145 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.565 ' HA2' ' CE1' ' A' ' 127' ' ' PHE . . . -31.96 139.92 0.06 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.922 HD23 ' HA ' ' A' ' 112' ' ' CYS . 1.1 mt -106.83 160.72 15.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 0.765 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 111' ' ' SER . 20.1 mttt -72.45 -170.82 0.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.436 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 0.3 OUTLIER -74.66 -29.87 61.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.421 1.076 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.417 ' N ' ' HG3' ' A' ' 108' ' ' LYS . 16.2 p-10 -83.89 16.03 3.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . 62.25 43.53 98.97 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.533 1.146 . . . . 0.0 111.037 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.438 ' O ' ' HA ' ' A' ' 106' ' ' LEU . 0.4 OUTLIER -112.94 147.16 37.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 0.784 . . . . 0.0 109.982 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . 0.922 ' HA ' HD23 ' A' ' 106' ' ' LEU . 18.4 p -65.96 128.87 37.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 108.307 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.851 ' HD3' HG22 ' A' ' 118' ' ' THR . 10.4 tttp -90.48 115.82 27.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.431 ' CB ' ' HG3' ' A' ' 117' ' ' ARG . 0.1 OUTLIER -38.38 132.13 1.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.32 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.567 ' C ' ' CD1' ' A' ' 102' ' ' TRP . . . -46.94 -59.07 5.8 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 34.21 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.527 1.804 . . . . 0.0 111.06 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.501 ' H ' ' C ' ' A' ' 115' ' ' GLY . 5.9 mmm180 -143.12 19.35 1.93 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 110.277 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.851 HG22 ' HD3' ' A' ' 113' ' ' LYS . 2.9 p -125.84 163.19 23.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.411 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -169.01 -171.42 1.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.596 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -87.93 144.64 26.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 111.001 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 108.8 -22.97 24.92 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.515 1.134 . . . . 0.0 110.972 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -79.57 144.64 33.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 0.78 . . . . 0.0 110.287 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.487 ' HG3' HD12 ' A' ' 126' ' ' LEU . 21.8 ttmt -92.7 28.68 1.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.451 ' O ' ' CA ' ' A' ' 105' ' ' GLY . . . -106.73 -31.0 8.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.137 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.557 HG22 ' CB ' ' A' ' 103' ' ' PHE . 15.7 pt -77.56 -27.65 15.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.487 HD12 ' HG3' ' A' ' 123' ' ' LYS . 76.7 mt -65.47 103.95 0.91 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.11 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.565 ' CE1' ' HA2' ' A' ' 105' ' ' GLY . 2.2 m-30 -115.9 149.8 38.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.939 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.806 HD23 ' HD2' ' A' ' 129' ' ' PRO . 0.5 OUTLIER -131.11 115.61 16.5 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . 0.806 ' HD2' HD23 ' A' ' 128' ' ' LEU . 18.2 Cg_endo -75.0 107.21 2.43 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.509 1.794 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.738 HD22 ' O ' ' A' ' 128' ' ' LEU . 2.1 mm? -87.34 141.59 32.7 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 130' ' ' LEU . 18.1 Cg_endo -75.06 128.08 11.15 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.474 1.776 . . . . 0.0 110.973 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.445 ' CG2' HD11 ' A' ' 8' ' ' LEU . 0.3 OUTLIER -128.21 156.76 40.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 44.17 91.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 110.0 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.94 155.71 7.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 110.001 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 169.8 149.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.659 ' N ' HD13 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -102.33 -168.53 1.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.526 ' O ' ' CG ' ' A' ' 138' ' ' HIS . 10.4 mt-10 -124.24 176.46 6.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.293 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . 0.526 ' CG ' ' O ' ' A' ' 137' ' ' GLU . 1.8 m-70 -179.47 176.82 0.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.591 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 50.1 t60 68.61 161.91 0.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.633 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 67.2 127.32 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.595 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 18.8 t60 -166.76 170.81 12.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.592 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -61.18 104.56 0.4 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.503 1.127 . . . . 0.0 109.591 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.613 179.971 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.7 ptm . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.525 0.202 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -166.07 -46.63 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -121.01 155.53 34.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.991 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -163.72 -69.93 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.5 mmpt? -58.36 154.75 30.95 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.254 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 150.28 37.84 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.515 1.797 . . . . 0.0 110.987 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.28 164.03 29.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.46 ' O ' ' HA ' ' A' ' 129' ' ' PRO . 0.8 OUTLIER -109.21 141.78 40.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.421 HD11 HD21 ' A' ' 41' ' ' LEU . 2.9 mm? -91.78 117.78 30.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.338 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.567 ' CE1' ' HA2' ' A' ' 15' ' ' GLY . 64.7 t80 -98.38 154.31 17.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.972 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 15' ' ' GLY . 53.6 t -131.84 79.13 1.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 108.33 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.447 ' HA ' ' CE2' ' A' ' 10' ' ' TYR . 2.1 t -37.88 -32.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.0 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 11' ' ' CYS . 30.9 t30 -42.97 -53.18 4.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -119.71 -35.8 0.88 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.567 ' HA2' ' CE1' ' A' ' 10' ' ' TYR . . . 94.5 65.56 1.01 Allowed Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 55.5 m80 -140.55 162.68 34.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.442 0.73 . . . . 0.0 109.577 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -104.5 143.04 33.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.728 ' CD1' HD11 ' A' ' 106' ' ' LEU . 13.0 tp -77.78 112.02 14.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.659 ' HB2' HG22 ' A' ' 37' ' ' ILE . 17.9 ttp180 -108.82 140.02 42.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.158 . . . . 0.0 110.313 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.609 HD11 ' HB2' ' A' ' 60' ' ' LEU . 33.7 mt -119.94 103.25 13.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 19.6 mt -74.0 155.3 88.56 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.347 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -0.7 10.3 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.483 1.78 . . . . 0.0 110.984 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -94.8 7.06 47.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.25 36.28 35.33 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.532 1.145 . . . . 0.0 111.02 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.4 m -115.69 146.63 41.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 0.781 . . . . 0.0 110.4 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.2 t -135.38 114.21 16.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.411 1.069 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -148.88 162.81 39.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.63 137.93 17.5 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.52 1.137 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.435 ' CG2' ' CG2' ' A' ' 37' ' ' ILE . 4.4 t -141.36 118.39 11.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 0.758 . . . . 0.0 110.358 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.2 ttt180 -93.98 56.06 2.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.446 ' O ' ' C ' ' A' ' 32' ' ' ARG . 5.7 t0 -142.64 79.91 1.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.588 ' HA ' HD11 ' A' ' 37' ' ' ILE . 2.7 mpp_? -35.59 -44.82 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.459 ' C ' ' O ' ' A' ' 32' ' ' ARG . 0.3 OUTLIER -35.07 -41.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.983 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.403 ' OD2' ' NH1' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -43.75 123.12 3.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -92.5 34.91 1.03 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.255 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.563 ' CD2' ' HG2' ' A' ' 55' ' ' GLU . 24.6 m80 -130.37 -45.38 1.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.583 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.659 HG22 ' HB2' ' A' ' 19' ' ' ARG . 30.1 pt -43.33 -27.8 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.434 ' N ' ' C ' ' A' ' 36' ' ' HIS . 5.2 mt-30 -59.63 82.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.67 HD23 ' HA ' ' A' ' 53' ' ' SER . 41.9 mt -88.53 148.04 24.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.255 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.466 ' HB2' HG22 ' A' ' 54' ' ' THR . 0.0 OUTLIER -104.43 114.39 28.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.147 . . . . 0.0 110.294 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.87 ' CD1' HG23 ' A' ' 51' ' ' ILE . 0.2 OUTLIER -97.18 133.85 41.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.564 1.165 . . . . 0.0 109.26 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.6 m -143.77 156.03 44.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.988 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -114.54 124.53 52.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -108.36 -41.36 4.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.68 163.3 23.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.99 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 55.0 t -62.18 119.8 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.87 13.92 83.13 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.115 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.692 ' HB3' HD11 ' A' ' 79' ' ' LEU . 15.4 mt-10 -120.79 136.72 54.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 0.746 . . . . 0.0 110.284 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 32.8 m -136.33 149.29 27.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.8 ' CE2' HD13 ' A' ' 79' ' ' LEU . 7.5 m-85 -116.92 132.02 56.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.87 HG23 ' CD1' ' A' ' 41' ' ' LEU . 4.2 mt -115.87 121.82 68.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.249 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -142.21 153.46 44.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.67 ' HA ' HD23 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -84.28 137.48 33.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.989 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.466 HG22 ' HB2' ' A' ' 40' ' ' GLN . 58.6 p -94.45 8.91 40.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 110.442 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.563 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 4.5 tp10 -103.83 -70.64 0.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 27.1 p -74.94 -54.89 6.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.402 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 115.27 41.31 0.82 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.474 1.109 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.514 ' NE2' HG22 ' A' ' 20' ' ' ILE . 6.3 mt-30 -115.56 156.44 25.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 0.754 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.458 ' CE1' ' HB3' ' A' ' 74' ' ' PRO . 54.5 m-85 -103.45 140.88 36.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 110.989 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.609 ' HB2' HD11 ' A' ' 20' ' ' ILE . 5.0 tp -80.73 116.74 20.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.251 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -138.4 155.42 48.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 50.9 ttm -109.95 115.88 30.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.54 ' CG ' ' CE2' ' A' ' 69' ' ' TYR . 1.1 m-20 -69.93 -172.14 0.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.3 p -82.15 -2.23 51.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 110.395 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -86.54 -13.57 45.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.08 -8.43 77.83 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.535 1.147 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.487 HD13 ' N ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -91.68 164.93 13.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 0.778 . . . . 0.0 109.286 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.828 HD11 HG13 ' A' ' 104' ' ' VAL . 5.7 mt -101.05 141.73 33.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.54 ' CE2' ' CG ' ' A' ' 63' ' ' ASP . 4.8 p90 -139.71 166.75 23.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.138 . . . . 0.0 111.009 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -89.58 119.7 5.57 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.83 140.22 29.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 0.751 . . . . 0.0 109.987 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -77.86 -31.19 51.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.28 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.7 p -131.95 155.94 80.73 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.425 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.458 ' HB3' ' CE1' ' A' ' 59' ' ' TYR . 18.4 Cg_endo -74.99 110.54 3.14 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.503 1.791 . . . . 0.0 110.977 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 60.3 m-80 -124.29 157.61 34.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -46.32 -25.54 0.66 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.27 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -61.58 -31.78 71.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.323 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.423 ' SG ' ' CB ' ' A' ' 59' ' ' TYR . 24.6 m -75.72 -16.5 60.14 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 108.331 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.8 HD13 ' CE2' ' A' ' 50' ' ' TYR . 4.1 tp -85.29 119.55 25.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -117.84 165.66 13.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.575 HD21 ' HA ' ' A' ' 95' ' ' LYS . 1.3 mm? -103.04 123.43 46.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.422 ' HG2' ' N ' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -108.99 144.79 36.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.342 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.422 ' N ' ' HG2' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -142.55 166.23 25.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.354 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.642 HD22 ' N ' ' A' ' 85' ' ' GLU . 0.3 OUTLIER -97.73 112.55 24.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.642 ' N ' HD22 ' A' ' 84' ' ' LEU . 8.7 mm-40 -105.29 151.78 23.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -56.25 176.43 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.327 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 68.11 9.81 7.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.127 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 37.5 m170 62.29 61.49 1.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.554 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.828 ' CD1' HD13 ' A' ' 128' ' ' LEU . 2.3 m-85 -143.62 151.5 40.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 110.999 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.403 ' OD1' ' N ' ' A' ' 90' ' ' ASN . 0.8 OUTLIER -113.31 160.29 18.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.27 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.552 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 24.3 p -130.03 171.62 12.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.428 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.552 ' CD1' ' O ' ' A' ' 91' ' ' THR . 33.8 m-85 -149.86 132.98 16.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 111.026 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.733 HD11 ' CE2' ' A' ' 103' ' ' PHE . 34.4 mt -134.33 143.75 37.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.266 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 98' ' ' ALA . 0.2 OUTLIER -69.24 138.71 54.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.039 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.575 ' HA ' HD21 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -67.04 -65.35 0.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.572 ' HB3' ' CD2' ' A' ' 97' ' ' HIS . 18.7 tttt -51.2 -22.69 2.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.572 ' CD2' ' HB3' ' A' ' 96' ' ' LYS . 0.1 OUTLIER -123.77 41.53 3.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.572 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 94' ' ' SER . . . -76.64 -41.69 44.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.41 ' O ' ' OD1' ' A' ' 101' ' ' ASN . 4.3 pt-20 -68.84 -22.2 64.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 110.293 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.534 ' HD3' ' CZ2' ' A' ' 102' ' ' TRP . 0.9 OUTLIER -74.56 -9.87 59.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.41 ' OD1' ' O ' ' A' ' 99' ' ' GLU . 0.4 OUTLIER 50.13 65.04 1.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.6 ' O ' HG23 ' A' ' 93' ' ' ILE . 51.2 m0 -111.99 131.98 55.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 108.036 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.733 ' CE2' HD11 ' A' ' 93' ' ' ILE . 88.5 m-85 -115.64 148.2 39.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 111.033 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.828 HG13 HD11 ' A' ' 68' ' ' LEU . 40.6 t -87.44 125.78 41.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.485 ' HA2' ' CE1' ' A' ' 127' ' ' PHE . . . -161.15 165.94 35.54 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.54 1.15 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.759 HD23 ' HA ' ' A' ' 112' ' ' CYS . 8.9 mt -134.16 137.11 44.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 0.767 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.2 mmtm -64.84 -168.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -82.73 -23.29 34.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -86.29 7.23 26.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 73.53 35.23 56.04 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.529 1.143 . . . . 0.0 111.018 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.401 ' O ' ' HA ' ' A' ' 106' ' ' LEU . 37.5 m -109.2 141.7 41.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.766 . . . . 0.0 110.01 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . 0.759 ' HA ' HD23 ' A' ' 106' ' ' LEU . 17.6 p -66.39 135.25 54.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 108.276 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.838 ' HE3' HG22 ' A' ' 118' ' ' THR . 28.5 ttpt -90.1 121.85 32.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 113' ' ' LYS . 0.2 OUTLIER -36.67 132.77 0.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.284 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.58 ' N ' ' CD ' ' A' ' 116' ' ' PRO . . . -61.22 -46.46 94.44 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.443 1.089 . . . . 0.0 110.984 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.58 ' CD ' ' N ' ' A' ' 115' ' ' GLY . 18.2 Cg_endo -75.03 3.01 6.01 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.497 1.788 . . . . 0.0 110.992 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.403 ' HG3' ' CB ' ' A' ' 114' ' ' ARG . 4.9 mmt-85 -115.39 41.38 2.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.361 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.838 HG22 ' HE3' ' A' ' 113' ' ' LYS . 18.6 p -122.52 166.92 14.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.383 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.444 ' ND1' ' O ' ' A' ' 118' ' ' THR . 0.0 OUTLIER -176.48 175.11 1.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.58 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.418 ' CE1' ' CZ ' ' A' ' 103' ' ' PHE . 30.7 m-85 -88.22 123.36 32.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.988 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 133.86 -23.22 3.76 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.473 1.108 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -80.06 151.41 29.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 110.246 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.58 ' HA ' HD12 ' A' ' 126' ' ' LEU . 22.9 ttmt -93.28 21.64 5.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -98.65 -52.99 3.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 3.7 pt -55.16 -25.36 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.257 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.58 HD12 ' HA ' ' A' ' 123' ' ' LYS . 23.9 mt -73.12 109.7 6.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.485 ' CE1' ' HA2' ' A' ' 105' ' ' GLY . 1.8 m-30 -118.89 145.1 45.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.828 HD13 ' CD1' ' A' ' 89' ' ' TYR . 3.7 tp -130.4 116.78 17.57 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.16 . . . . 0.0 109.318 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . 0.46 ' HA ' ' O ' ' A' ' 8' ' ' LEU . 18.2 Cg_endo -75.02 128.01 11.13 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.511 1.795 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.421 HD23 ' HB2' ' A' ' 10' ' ' TYR . 3.9 mm? -101.69 132.28 21.9 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.348 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 103.73 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.447 1.761 . . . . 0.0 111.0 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 4.7 p -94.88 -5.45 10.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.332 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -163.57 76.73 0.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 109.965 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 4.2 m -40.69 159.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.0 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 137' ' ' GLU . 0.0 OUTLIER -88.45 -69.49 0.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 56.41 -85.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.515 ' O ' ' CG ' ' A' ' 138' ' ' HIS . 0.0 OUTLIER -52.08 126.37 18.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 110.313 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . 0.515 ' CG ' ' O ' ' A' ' 137' ' ' GLU . 0.8 OUTLIER 164.13 170.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.149 . . . . 0.0 109.662 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -120.46 118.07 29.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.6 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 -98.78 168.77 9.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.575 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 42.4 p-80 -147.18 158.2 43.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.622 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -169.71 145.35 3.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.591 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.621 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 mpp? . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.445 0.164 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -174.61 148.76 1.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.329 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -57.3 114.81 2.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -98.21 -77.81 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.528 ' N ' ' CB ' ' A' ' 133' ' ' SER . 1.7 mttt 173.42 -59.27 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.768 ' O ' HG12 ' A' ' 132' ' ' VAL . 18.3 Cg_endo -75.0 -162.43 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.528 1.804 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.472 ' C ' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -140.77 172.31 12.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.727 ' HG ' HD12 ' A' ' 37' ' ' ILE . 0.7 OUTLIER -110.62 159.25 17.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 29.1 mt -108.06 104.23 13.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.712 ' HB2' HD23 ' A' ' 130' ' ' LEU . 33.2 t80 -83.81 166.28 18.1 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.494 ' O ' ' C ' ' A' ' 12' ' ' SER . 53.3 t -141.18 78.36 1.64 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 108.311 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.494 ' C ' ' O ' ' A' ' 11' ' ' CYS . 0.8 OUTLIER -32.3 -40.66 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.02 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 11' ' ' CYS . 24.6 t30 -38.3 -64.82 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -109.09 -30.72 3.55 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.509 1.131 . . . . 0.0 111.023 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.488 ' HA2' ' CZ ' ' A' ' 10' ' ' TYR . . . 87.35 76.34 1.27 Allowed Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.579 ' CD2' ' HB2' ' A' ' 30' ' ' ARG . 49.8 m80 -151.04 158.03 43.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 0.774 . . . . 0.0 109.638 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.589 ' CD1' ' HB3' ' A' ' 8' ' ' LEU . 21.5 m-85 -96.86 141.4 30.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.5 tp -78.75 110.31 13.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.794 ' HB3' HG22 ' A' ' 37' ' ' ILE . 5.2 ptm180 -116.61 154.08 31.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.795 HD11 ' HB2' ' A' ' 60' ' ' LEU . 47.1 mt -125.24 111.01 26.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.518 HD21 ' NE ' ' A' ' 19' ' ' ARG . 33.6 mt -72.12 157.92 88.51 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.246 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 0.71 8.61 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.489 1.784 . . . . 0.0 110.976 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.66 -17.57 19.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.69 46.37 1.52 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.47 ' CG2' ' OD2' ' A' ' 27' ' ' ASP . 1.1 m -126.53 147.89 49.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 0.76 . . . . 0.0 110.409 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.7 t -134.47 110.87 13.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.13 . . . . 0.0 109.253 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.47 ' OD2' ' CG2' ' A' ' 25' ' ' THR . 0.7 OUTLIER -149.02 162.59 39.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.085 . . . . 0.0 109.313 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -79.47 136.31 17.0 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.564 1.165 . . . . 0.0 110.95 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.496 ' O ' ' C ' ' A' ' 30' ' ' ARG . 12.8 t -123.73 -1.12 8.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 0.787 . . . . 0.0 110.384 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.579 ' HB2' ' CD2' ' A' ' 16' ' ' HIS . 0.2 OUTLIER 31.55 41.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.276 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.677 ' O ' HD13 ' A' ' 37' ' ' ILE . 0.3 OUTLIER -130.88 128.43 40.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.486 ' HG2' ' CE2' ' A' ' 17' ' ' PHE . 2.3 mtm180 -88.76 -22.94 23.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.01 -57.17 14.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.965 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -43.92 148.51 0.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -102.7 -25.91 13.37 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.526 1.141 . . . . 0.0 110.327 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.571 ' CD2' ' HG2' ' A' ' 55' ' ' GLU . 70.5 m80 -59.66 -15.31 18.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.594 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.794 HG22 ' HB3' ' A' ' 19' ' ' ARG . 2.7 pt -80.28 -36.33 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.51 ' HG2' HG11 ' A' ' 132' ' ' VAL . 60.3 mt-30 -55.66 95.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.238 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 53' ' ' SER . 41.1 mt -100.66 147.64 25.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.465 ' HG3' HG21 ' A' ' 54' ' ' THR . 0.0 OUTLIER -103.4 117.3 34.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 0.0 110.323 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.6 mp -99.99 136.27 40.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.41 ' O ' ' HA ' ' A' ' 49' ' ' VAL . 9.6 m -141.37 160.86 39.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.98 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -115.82 124.04 49.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.467 ' HG2' ' OG ' ' A' ' 45' ' ' SER . 0.5 OUTLIER -105.78 -45.42 4.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 110.31 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.467 ' OG ' ' HG2' ' A' ' 44' ' ' GLU . 0.8 OUTLIER -128.83 166.75 18.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 110.026 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.6 p -61.15 121.68 9.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.257 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.48 14.66 79.38 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.538 1.149 . . . . 0.0 110.991 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.769 ' HB3' HD11 ' A' ' 79' ' ' LEU . 14.0 mt-10 -122.69 131.12 53.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 0.741 . . . . 0.0 110.313 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.538 ' O ' HD12 ' A' ' 79' ' ' LEU . 15.3 m -129.64 153.31 38.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.499 ' CZ ' ' HB2' ' A' ' 79' ' ' LEU . 1.4 m-85 -120.99 131.44 54.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.157 . . . . 0.0 110.975 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.63 HD12 HD23 ' A' ' 60' ' ' LEU . 20.9 mt -110.7 128.45 67.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.26 152.57 44.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.423 ' HA ' HD23 ' A' ' 39' ' ' LEU . 0.3 OUTLIER -92.0 128.55 37.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.057 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.465 HG21 ' HG3' ' A' ' 40' ' ' GLN . 20.7 p -90.41 8.53 33.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.132 . . . . 0.0 110.412 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.571 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 35.9 tp10 -103.36 -67.03 0.9 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.325 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 43.7 p -80.82 -41.98 22.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 110.381 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 102.52 39.15 2.84 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.132 . . . . 0.0 111.008 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -119.69 156.38 30.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.77 . . . . 0.0 110.299 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -98.84 139.29 34.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.974 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.795 ' HB2' HD11 ' A' ' 20' ' ' ILE . 4.0 tp -77.67 119.5 21.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.468 ' HB2' ' SG ' ' A' ' 78' ' ' CYS . . . -139.67 149.64 43.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 38.7 ttm -103.2 116.14 31.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.977 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -65.53 172.85 3.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.253 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.8 p -66.14 -35.97 81.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.385 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -54.46 -31.65 56.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 111.57 6.18 25.38 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.517 1.136 . . . . 0.0 110.976 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.447 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 0.8 OUTLIER -96.5 161.23 14.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 0.756 . . . . 0.0 109.308 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.793 HD11 HG13 ' A' ' 104' ' ' VAL . 9.9 mt -99.11 139.0 35.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.572 ' CD1' ' C ' ' A' ' 69' ' ' TYR . 1.8 p90 -150.13 154.89 38.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -85.65 125.51 7.32 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.524 1.14 . . . . 0.0 110.97 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.3 t -90.33 139.74 30.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 0.747 . . . . 0.0 110.006 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.13 -36.86 84.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.279 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.9 p -123.12 159.02 56.08 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.403 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 103.23 1.7 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.493 1.786 . . . . 0.0 111.035 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 18.2 m-20 -115.37 157.41 23.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 109.323 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -47.38 -35.56 8.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 110.292 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -57.32 -21.31 34.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 110.301 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.468 ' SG ' ' HB2' ' A' ' 61' ' ' ALA . 74.4 m -85.24 -16.89 38.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 108.305 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.769 HD11 ' HB3' ' A' ' 48' ' ' GLU . 9.5 tp -87.45 128.09 35.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.453 ' C ' HD13 ' A' ' 81' ' ' LEU . 15.8 m-85 -128.07 166.05 19.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.5 HD12 ' HG2' ' A' ' 48' ' ' GLU . 0.6 OUTLIER -102.65 127.5 49.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.412 ' HA ' ' O ' ' A' ' 91' ' ' THR . 4.4 tm-20 -108.85 147.26 32.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 110.297 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.76 155.46 29.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 110.338 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.453 HD22 ' N ' ' A' ' 85' ' ' GLU . 2.0 tm? -92.4 120.75 33.21 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.469 ' HG3' ' CG2' ' A' ' 91' ' ' THR . 9.4 mm-40 -97.76 167.82 10.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.465 ' O ' ' O ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -46.51 177.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.31 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 36.8 m-20 62.89 -89.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 175.32 52.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.605 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.716 ' CE1' HD22 ' A' ' 128' ' ' LEU . 33.2 m-85 -128.35 164.92 21.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.103 . . . . 0.0 110.986 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -122.17 151.48 40.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.469 ' CG2' ' HG3' ' A' ' 85' ' ' GLU . 8.5 p -126.45 150.28 48.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.374 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -130.54 132.68 45.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 111.04 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.941 HD11 ' CE2' ' A' ' 103' ' ' PHE . 65.2 mt -130.7 143.48 40.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.404 ' O ' ' CA ' ' A' ' 98' ' ' ALA . 7.4 t -70.4 138.48 51.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.979 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 98' ' ' ALA . 0.4 OUTLIER -67.25 -77.16 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.448 ' HB3' ' CD2' ' A' ' 97' ' ' HIS . 3.2 mttt -40.27 -30.88 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.448 ' CD2' ' HB3' ' A' ' 96' ' ' LYS . 2.2 m-70 -120.82 51.86 1.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.641 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 95' ' ' LYS . . . -87.25 -47.93 8.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -58.78 -20.58 51.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.291 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.562 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 3.8 mtpt -75.87 -3.78 37.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 45.98 64.26 1.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.168 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.562 ' CD1' ' O ' ' A' ' 100' ' ' LYS . 50.7 m0 -112.13 130.98 55.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 107.986 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.941 ' CE2' HD11 ' A' ' 93' ' ' ILE . 95.5 m-85 -116.26 148.83 40.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 110.959 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.793 HG13 HD11 ' A' ' 68' ' ' LEU . 21.3 t -85.42 118.03 31.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -158.45 161.57 31.81 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.546 1.154 . . . . 0.0 110.968 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.837 HD23 ' HA ' ' A' ' 112' ' ' CYS . 6.9 mt -125.45 156.89 38.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 0.783 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -82.77 -172.06 3.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.9 ttmt -78.0 -20.69 52.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -86.8 4.28 41.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.291 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 73.91 34.63 55.65 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.523 1.139 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.404 ' O ' ' HA ' ' A' ' 106' ' ' LEU . 96.3 p -111.6 146.43 37.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 0.783 . . . . 0.0 109.977 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . 0.837 ' HA ' HD23 ' A' ' 106' ' ' LEU . 17.2 p -65.89 135.5 54.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 108.297 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.0 ttmm -89.97 125.67 35.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.259 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.48 129.26 4.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.32 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.514 ' N ' ' CD ' ' A' ' 116' ' ' PRO . . . -54.41 -50.36 56.89 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.496 1.123 . . . . 0.0 110.946 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.514 ' CD ' ' N ' ' A' ' 115' ' ' GLY . 18.3 Cg_endo -74.96 33.57 0.38 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.476 1.777 . . . . 0.0 110.979 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.507 ' H ' ' C ' ' A' ' 115' ' ' GLY . 3.4 mmt-85 -143.03 22.65 1.91 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.254 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 2.6 p -114.27 160.7 18.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.363 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -175.63 179.58 1.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.577 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -79.49 144.33 34.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 108.96 -24.68 20.86 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -81.34 149.7 28.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 0.776 . . . . 0.0 110.257 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 3.1 ttmm -93.62 23.78 4.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -95.78 -56.47 2.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.138 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.706 HG22 ' CB ' ' A' ' 103' ' ' PHE . 12.1 pt -47.81 -41.54 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.423 ' HB3' ' CG ' ' A' ' 89' ' ' TYR . 31.3 mt -59.79 107.64 0.64 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -115.52 133.42 56.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.982 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.716 HD22 ' CE1' ' A' ' 89' ' ' TYR . 5.4 tp -114.59 104.18 54.53 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . 0.511 ' HA ' ' O ' ' A' ' 8' ' ' LEU . 18.1 Cg_endo -75.02 119.27 5.57 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.503 1.791 . . . . 0.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.712 HD23 ' HB2' ' A' ' 10' ' ' TYR . 3.7 mm? -97.4 127.18 38.96 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 128.01 11.1 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.449 1.762 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.768 HG12 ' O ' ' A' ' 6' ' ' PRO . 3.1 p -102.4 13.54 6.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.528 ' CB ' ' N ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -156.36 163.19 39.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.041 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.05 123.61 47.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.083 . . . . 0.0 109.996 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -168.02 162.62 13.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.476 ' HA ' HD22 ' A' ' 136' ' ' LEU . 0.2 OUTLIER -51.14 -178.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.416 ' CB ' ' O ' ' A' ' 136' ' ' LEU . 2.4 mt-10 166.97 95.8 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.298 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -72.31 -179.98 3.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.613 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -110.28 175.74 5.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.587 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 7.9 p-80 -77.18 177.18 8.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.586 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -117.82 171.68 7.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.585 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 13.1 m80 -88.03 170.36 11.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.62 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 19.4 p-80 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.096 . . . . 0.0 109.611 -179.973 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.46 0.172 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 10.9 p-10 -135.84 98.59 3.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 109.271 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -130.02 125.33 35.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.77 167.37 20.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.409 ' HD2' ' N ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER 67.32 156.93 0.14 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 168.69 24.25 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.462 1.769 . . . . 0.0 110.997 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.415 ' CD ' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -140.48 177.35 8.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.276 -179.932 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.735 HD22 HD12 ' A' ' 37' ' ' ILE . 2.7 mt -123.38 138.4 54.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.451 ' HB3' ' CD2' ' A' ' 127' ' ' PHE . 23.4 mt -91.99 110.85 22.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.505 ' CE1' ' HA2' ' A' ' 15' ' ' GLY . 54.3 t80 -88.3 151.87 22.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.409 ' O ' ' C ' ' A' ' 12' ' ' SER . 9.2 t -122.46 81.39 1.84 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 108.254 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.479 ' HA ' ' CE2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -38.07 -40.59 0.5 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.02 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.41 ' N ' ' HG2' ' A' ' 123' ' ' LYS . 48.0 t30 -67.68 70.34 0.12 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 12' ' ' SER . . . 121.25 -46.32 1.13 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.505 ' HA2' ' CE1' ' A' ' 10' ' ' TYR . . . 92.0 87.36 1.49 Allowed Glycine 0 CA--C 1.531 1.042 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.556 ' CD2' ' HG2' ' A' ' 30' ' ' ARG . 61.5 m80 -154.79 160.72 41.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 0.785 . . . . 0.0 109.651 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -113.22 141.58 46.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 111.021 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.768 ' CD1' HD21 ' A' ' 106' ' ' LEU . 11.5 tp -79.01 122.41 26.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.591 ' HB3' HG22 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -125.25 151.31 46.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.687 HD11 ' HB2' ' A' ' 60' ' ' LEU . 71.4 mt -124.5 111.74 29.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.482 HD21 ' HD2' ' A' ' 19' ' ' ARG . 29.2 mt -82.07 157.65 68.3 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 0.57 8.77 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.464 1.771 . . . . 0.0 110.981 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.91 3.27 49.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.76 47.99 7.46 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.565 1.166 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.8 m -125.61 141.16 52.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 0.751 . . . . 0.0 110.37 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.1 t -135.06 113.28 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -148.66 162.11 40.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.107 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -84.7 142.25 20.01 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.47 1.107 . . . . 0.0 111.059 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.555 HG21 ' OD2' ' A' ' 34' ' ' ASP . 9.0 t -146.19 132.99 20.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 0.754 . . . . 0.0 110.399 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.556 ' HG2' ' CD2' ' A' ' 16' ' ' HIS . 9.3 ptt180 -103.59 56.11 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.321 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -142.51 88.28 2.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 33' ' ' SER . 0.1 OUTLIER -39.97 -36.38 0.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.266 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 32' ' ' ARG . 0.1 OUTLIER -38.32 -51.16 1.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.971 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.555 ' OD2' HG21 ' A' ' 29' ' ' THR . 0.6 OUTLIER -44.38 141.34 1.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -107.97 -16.35 14.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.331 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.4 ' CD2' ' HG2' ' A' ' 55' ' ' GLU . 9.0 m80 -76.0 -7.42 54.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.597 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.735 HD12 HD22 ' A' ' 8' ' ' LEU . 14.6 pt -83.37 -16.74 11.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.42 ' HG2' HG11 ' A' ' 132' ' ' VAL . 30.9 mt-30 -67.16 83.63 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.255 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.688 HD23 ' HA ' ' A' ' 53' ' ' SER . 44.9 mt -93.98 144.18 25.69 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.587 1.18 . . . . 0.0 109.345 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.58 ' HG3' HG21 ' A' ' 54' ' ' THR . 0.0 OUTLIER -106.87 114.9 29.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.302 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.868 HD11 HG23 ' A' ' 51' ' ' ILE . 0.3 OUTLIER -95.52 133.69 39.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.329 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.434 ' O ' ' HA ' ' A' ' 49' ' ' VAL . 2.4 m -133.73 161.31 35.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.004 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -118.79 130.22 55.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.619 ' OE2' ' CD2' ' A' ' 50' ' ' TYR . 62.5 mt-10 -117.54 -51.06 2.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 110.307 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.39 165.69 20.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.979 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 40.7 t -54.44 125.08 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.448 ' O ' ' HA ' ' A' ' 81' ' ' LEU . . . 65.58 13.85 59.31 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.413 ' HB3' HD11 ' A' ' 79' ' ' LEU . 4.7 mt-10 -114.18 120.9 42.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 0.746 . . . . 0.0 110.312 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.434 ' HA ' ' O ' ' A' ' 42' ' ' SER . 13.9 m -130.69 148.57 33.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.764 ' CE2' HD22 ' A' ' 79' ' ' LEU . 1.6 m-85 -114.92 131.48 56.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.868 HG23 HD11 ' A' ' 41' ' ' LEU . 4.6 mt -111.88 118.56 57.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.31 152.7 51.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.688 ' HA ' HD23 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -86.6 137.21 32.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.023 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.58 HG21 ' HG3' ' A' ' 40' ' ' GLN . 44.0 p -100.23 11.02 40.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.372 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.4 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 11.2 tp10 -109.16 -72.47 0.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 27.0 p -70.26 -63.08 1.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.403 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 126.49 41.21 0.33 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.49 1.118 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.511 HE21 HG22 ' A' ' 20' ' ' ILE . 6.6 mt-30 -127.04 161.0 29.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 0.789 . . . . 0.0 110.301 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 5.5 m-30 -104.48 146.54 28.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.687 ' HB2' HD11 ' A' ' 20' ' ' ILE . 5.8 tp -81.53 114.67 20.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.443 1.089 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -137.22 154.84 50.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.41 ' HE2' ' HB2' ' A' ' 62' ' ' MET . 20.7 tpp -106.12 136.74 45.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 0.0 110.982 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.521 ' OD2' ' CD2' ' A' ' 69' ' ' TYR . 0.5 OUTLIER -92.94 -169.69 2.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 76.7 p -77.46 -27.16 51.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.415 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.442 ' CB ' HD22 ' A' ' 67' ' ' LEU . 11.3 m-20 -69.57 -8.2 45.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 82.91 6.63 88.21 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.502 1.126 . . . . 0.0 111.025 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.442 HD22 ' CB ' ' A' ' 65' ' ' ASP . 0.5 OUTLIER -97.27 161.65 13.71 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 0.761 . . . . 0.0 109.34 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.3 mt -97.62 145.1 26.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.521 ' CD2' ' OD2' ' A' ' 63' ' ' ASP . 4.7 p90 -148.63 167.6 25.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.991 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -87.9 124.95 7.37 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.54 1.15 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.4 p -86.04 135.54 33.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 0.0 110.012 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.39 -26.82 46.64 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.58 1.175 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.4 p -135.41 159.41 71.79 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 110.378 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 108.19 2.66 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.502 1.79 . . . . 0.0 111.029 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -127.19 154.32 44.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -45.05 -29.87 0.96 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 110.304 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -57.41 -34.29 68.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.269 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 58.4 m -73.34 -20.13 60.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 108.279 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.764 HD22 ' CE2' ' A' ' 50' ' ' TYR . 2.3 tp -87.15 120.8 28.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.539 ' C ' HD13 ' A' ' 81' ' ' LEU . 9.2 m-85 -117.27 164.87 14.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.571 HD21 ' HA ' ' A' ' 95' ' ' LYS . 0.3 OUTLIER -103.79 126.03 50.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -108.75 149.95 28.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 110.329 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.04 164.47 34.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 110.298 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.22 105.84 17.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.601 ' OE2' ' CE1' ' A' ' 120' ' ' TYR . 3.9 mm-40 -98.07 161.38 13.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -59.4 -178.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 31.7 m-20 62.64 13.91 6.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.335 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 56.36 57.82 4.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.584 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.764 ' CD1' HD13 ' A' ' 128' ' ' LEU . 3.7 m-85 -137.91 156.42 47.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -112.46 156.02 23.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.496 HG21 ' HG3' ' A' ' 85' ' ' GLU . 76.4 p -129.3 170.58 13.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.395 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.443 ' CD1' ' O ' ' A' ' 91' ' ' THR . 45.0 m-85 -149.41 133.21 16.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.583 HD11 ' CE2' ' A' ' 103' ' ' PHE . 55.5 mt -131.31 147.86 32.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.8 t -71.55 138.51 48.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.047 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.571 ' HA ' HD21 ' A' ' 81' ' ' LEU . 2.3 tttt -73.39 -58.3 3.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -42.21 -28.44 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.263 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.613 ' CE1' ' CZ3' ' A' ' 102' ' ' TRP . 27.5 m-70 -102.42 -89.0 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.113 . . . . 0.0 109.596 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 97' ' ' HIS . . . 67.53 -68.84 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 97' ' ' HIS . 2.2 mt-10 -54.79 -24.58 23.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.565 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 10.9 mttt -77.41 -11.41 59.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 49.13 64.18 1.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.33 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.613 ' CZ3' ' CE1' ' A' ' 97' ' ' HIS . 49.3 m0 -112.64 132.74 55.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 107.993 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.583 ' CE2' HD11 ' A' ' 93' ' ' ILE . 65.0 m-85 -113.84 148.89 35.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.497 ' O ' ' C ' ' A' ' 105' ' ' GLY . 36.2 t -69.93 -24.98 27.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.534 ' HA2' ' CE1' ' A' ' 127' ' ' PHE . . . -30.02 142.55 0.02 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.517 1.135 . . . . 0.0 110.969 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.768 HD21 ' CD1' ' A' ' 18' ' ' LEU . 0.7 OUTLIER -106.77 159.27 16.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 0.76 . . . . 0.0 109.334 179.935 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 111' ' ' SER . 4.6 mtpt -68.38 -171.98 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.65 -9.19 23.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.261 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -90.72 21.68 3.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 63.02 41.28 99.91 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.447 1.092 . . . . 0.0 111.003 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 107' ' ' LYS . 0.7 OUTLIER -138.07 160.86 38.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.774 . . . . 0.0 110.021 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . 0.722 ' HA ' HD23 ' A' ' 106' ' ' LEU . 28.0 p -75.64 135.26 40.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 108.245 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.702 ' HD3' HG22 ' A' ' 118' ' ' THR . 6.6 tttt -90.48 112.93 24.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 113' ' ' LYS . 1.8 mpp_? -37.0 138.8 0.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.32 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.504 ' C ' ' H ' ' A' ' 117' ' ' ARG . . . -50.96 -55.93 16.34 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.515 1.134 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.419 ' CD ' ' N ' ' A' ' 115' ' ' GLY . 18.3 Cg_endo -74.96 32.16 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.498 1.789 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.504 ' H ' ' C ' ' A' ' 115' ' ' GLY . 5.7 mmt180 -142.42 22.39 2.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.341 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.702 HG22 ' HD3' ' A' ' 113' ' ' LYS . 6.0 p -118.72 167.2 11.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.368 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.669 ' O ' HD13 ' A' ' 125' ' ' ILE . 3.2 m80 -151.66 169.47 22.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.624 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.601 ' CE1' ' OE2' ' A' ' 85' ' ' GLU . 0.2 OUTLIER -89.84 128.47 36.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 111.041 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . 0.571 ' H ' HD11 ' A' ' 125' ' ' ILE . . . 100.26 26.69 8.13 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.485 1.115 . . . . 0.0 110.999 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -112.6 135.74 52.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.765 . . . . 0.0 110.257 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.537 ' HA ' HD12 ' A' ' 126' ' ' LEU . 0.1 OUTLIER -55.29 -19.59 8.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.01 -63.47 1.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.117 . . . . 0.0 109.271 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.669 HD13 ' O ' ' A' ' 119' ' ' HIS . 1.3 pt -57.55 -37.46 58.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.61 HD22 ' HB2' ' A' ' 89' ' ' TYR . 54.2 mt -59.93 102.71 0.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.534 ' CE1' ' HA2' ' A' ' 105' ' ' GLY . 2.4 m-30 -115.22 152.47 32.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 111.024 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.764 HD13 ' CD1' ' A' ' 89' ' ' TYR . 5.4 tp -128.97 121.17 20.66 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . 0.444 ' HA ' ' O ' ' A' ' 8' ' ' LEU . 18.4 Cg_endo -74.97 116.87 4.72 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.483 1.78 . . . . 0.0 111.058 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.509 ' CD2' ' O ' ' A' ' 128' ' ' LEU . 3.5 mm? -96.79 141.33 22.92 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 130' ' ' LEU . 18.3 Cg_endo -74.95 126.57 10.09 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.451 1.764 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.475 ' CG2' HD11 ' A' ' 8' ' ' LEU . 0.9 OUTLIER -134.99 150.3 29.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 3.0 t 64.26 86.03 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.994 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.07 178.82 0.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.943 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -159.1 142.08 14.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.425 HD21 ' HE1' ' A' ' 138' ' ' HIS . 0.0 OUTLIER -114.05 139.13 49.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.337 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -143.51 108.87 5.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 110.337 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . 0.425 ' HE1' HD21 ' A' ' 136' ' ' LEU . 1.2 m80 -54.84 162.1 1.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.606 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -177.93 151.1 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.165 . . . . 0.0 109.574 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -123.92 141.64 51.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.634 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -125.75 -63.68 1.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.599 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 4.5 p-80 -67.1 156.21 36.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.593 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 7.2 p-80 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.622 179.959 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 mmt . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.491 0.186 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -159.6 147.92 17.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -165.37 89.86 0.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.43 171.37 10.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.4 tttm -139.81 78.02 26.07 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.503 ' O ' HG12 ' A' ' 132' ' ' VAL . 18.3 Cg_endo -75.01 174.1 13.37 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.492 1.785 . . . . 0.0 111.036 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.471 ' C ' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -145.76 155.97 43.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.568 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 0.4 OUTLIER -103.38 140.25 37.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.338 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.492 HD12 ' CD2' ' A' ' 127' ' ' PHE . 0.2 OUTLIER -91.55 104.46 16.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -83.59 120.01 25.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.992 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 15' ' ' GLY . 0.5 OUTLIER -106.14 78.76 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 108.305 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.459 ' HB3' ' CG ' ' A' ' 123' ' ' LYS . 4.2 t -38.46 -38.03 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.001 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.427 ' N ' ' HG2' ' A' ' 123' ' ' LYS . 53.3 t30 -40.24 -33.04 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.31 -45.47 0.06 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.55 1.156 . . . . 0.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.449 ' C ' ' ND1' ' A' ' 16' ' ' HIS . . . 103.62 63.38 0.69 Allowed Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.449 ' ND1' ' C ' ' A' ' 15' ' ' GLY . 2.4 m80 -143.77 156.02 44.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 0.754 . . . . 0.0 109.58 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.568 ' CD1' ' HB3' ' A' ' 8' ' ' LEU . 20.8 m-85 -103.85 143.47 32.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 110.962 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.776 ' CD1' HD21 ' A' ' 106' ' ' LEU . 11.2 tp -77.31 125.43 29.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.814 ' HB3' HG22 ' A' ' 37' ' ' ILE . 2.2 ptm180 -129.17 155.28 45.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.305 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.494 HD11 ' HB2' ' A' ' 60' ' ' LEU . 54.6 mt -124.47 113.94 38.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.827 HD12 ' HB ' ' A' ' 25' ' ' THR . 27.0 mt -72.43 156.89 89.92 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -5.06 16.32 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.49 1.784 . . . . 0.0 111.031 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.5 -15.71 26.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.12 44.07 1.95 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.533 1.146 . . . . 0.0 110.961 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.827 ' HB ' HD12 ' A' ' 21' ' ' LEU . 3.8 m -124.76 147.9 48.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.407 0.71 . . . . 0.0 110.39 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.3 t -129.27 118.79 47.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -147.98 161.35 41.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -84.48 147.37 23.15 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.46 1.1 . . . . 0.0 110.974 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.666 ' CG2' HG21 ' A' ' 37' ' ' ILE . 2.9 t -151.66 141.66 22.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 0.739 . . . . 0.0 110.452 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.439 ' HG2' ' CD2' ' A' ' 16' ' ' HIS . 0.6 OUTLIER -127.97 33.92 4.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 33' ' ' SER . 9.3 t0 -93.03 -14.41 27.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.464 ' O ' ' C ' ' A' ' 33' ' ' SER . 8.1 mtm180 65.9 -60.99 0.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.517 ' N ' ' O ' ' A' ' 31' ' ' ASP . 0.1 OUTLIER -34.52 -38.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.002 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.477 ' HB3' HG23 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -44.78 143.84 1.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -106.9 -29.71 9.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.28 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -63.88 -23.16 67.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.578 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.814 HG22 ' HB3' ' A' ' 19' ' ' ARG . 39.7 pt -66.93 -29.53 46.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -67.51 82.98 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.32 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 39.7 mt -96.6 146.95 24.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.35 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.843 ' HG2' HG22 ' A' ' 54' ' ' THR . 0.0 OUTLIER -105.21 114.61 28.91 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.472 1.108 . . . . 0.0 110.257 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.804 HD11 HG23 ' A' ' 51' ' ' ILE . 0.3 OUTLIER -92.21 136.43 33.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.412 ' O ' ' HA ' ' A' ' 49' ' ' VAL . 3.6 m -135.3 161.34 35.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.967 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -117.29 126.92 53.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.454 ' HG2' ' OG ' ' A' ' 45' ' ' SER . 0.3 OUTLIER -107.97 -45.18 4.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.291 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.454 ' OG ' ' HG2' ' A' ' 44' ' ' GLU . 0.9 OUTLIER -128.67 168.16 16.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.01 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.1 t -60.8 123.38 13.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.35 9.14 72.39 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.486 1.116 . . . . 0.0 111.018 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.426 ' HB3' HD11 ' A' ' 79' ' ' LEU . 9.0 mt-10 -114.41 134.77 54.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 0.778 . . . . 0.0 110.275 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.412 ' HA ' ' O ' ' A' ' 42' ' ' SER . 5.7 m -137.18 148.62 26.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.452 ' CD2' HD13 ' A' ' 79' ' ' LEU . 0.9 OUTLIER -117.09 131.61 56.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 110.99 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.804 HG23 HD11 ' A' ' 41' ' ' LEU . 12.5 mt -108.35 120.99 60.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.482 ' HB2' ' CD1' ' A' ' 59' ' ' TYR . 10.2 tttt -136.58 146.5 46.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.0 t -83.39 132.33 34.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.009 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.843 HG22 ' HG2' ' A' ' 40' ' ' GLN . 48.1 p -83.57 -17.76 40.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.382 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -81.78 -76.33 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.417 ' OG1' ' N ' ' A' ' 57' ' ' GLY . 37.5 p -67.22 -63.86 0.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.373 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.417 ' N ' ' OG1' ' A' ' 56' ' ' THR . . . 133.05 -20.98 4.2 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.36 -175.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 0.75 . . . . 0.0 110.329 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.482 ' CD1' ' HB2' ' A' ' 52' ' ' LYS . 97.6 m-85 -131.48 173.12 11.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.994 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.494 ' HB2' HD11 ' A' ' 20' ' ' ILE . 6.6 tp -105.43 113.57 27.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.551 ' HB2' ' SG ' ' A' ' 78' ' ' CYS . . . -137.79 147.67 44.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.593 ' O ' ' CE1' ' A' ' 97' ' ' HIS . 46.3 ttm -106.0 116.7 32.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 110.959 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.31 -165.52 0.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 72.0 p -78.96 -21.75 46.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.373 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.81 -14.84 63.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.64 -15.1 61.17 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.504 1.127 . . . . 0.0 110.99 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.2 mp -85.11 163.7 18.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 0.0 109.261 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.735 HD11 HG13 ' A' ' 104' ' ' VAL . 13.5 mt -98.07 145.6 26.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.348 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.462 ' CD1' ' C ' ' A' ' 69' ' ' TYR . 5.4 p90 -140.35 161.14 38.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -80.29 112.28 3.43 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.559 1.162 . . . . 0.0 111.03 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.45 116.86 28.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 0.769 . . . . 0.0 110.013 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.09 -57.87 8.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 110.336 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.3 p -106.13 157.56 34.55 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.434 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 120.74 6.2 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.502 1.79 . . . . 0.0 111.029 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 78' ' ' CYS . 54.2 p30 -127.27 159.26 34.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 109.341 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -49.29 -23.83 1.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.298 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -71.68 -20.87 61.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.321 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.551 ' SG ' ' HB2' ' A' ' 61' ' ' ALA . 49.8 m -83.61 -14.84 51.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 108.32 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.452 HD13 ' CD2' ' A' ' 50' ' ' TYR . 3.2 tp -83.28 127.66 33.83 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.559 1.162 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -128.93 164.87 22.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.153 . . . . 0.0 111.018 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.713 HD22 ' N ' ' A' ' 81' ' ' LEU . 0.1 OUTLIER -103.62 125.74 50.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.491 ' HG3' ' CE1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -107.55 146.26 32.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.72 161.28 42.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 110.323 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.638 HD13 ' N ' ' A' ' 85' ' ' GLU . 1.3 tm? -92.41 134.44 34.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.943 ' OE2' HG21 ' A' ' 91' ' ' THR . 8.5 mt-10 -127.06 165.46 19.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -60.8 179.91 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.087 . . . . 0.0 110.301 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.554 ' HB3' ' CD2' ' A' ' 89' ' ' TYR . 30.5 m-20 61.2 16.03 6.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 55.76 54.05 8.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.555 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.554 ' CD2' ' HB3' ' A' ' 87' ' ' ASN . 8.7 m-85 -130.79 170.07 14.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.983 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -120.36 170.03 9.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.943 HG21 ' OE2' ' A' ' 85' ' ' GLU . 1.1 p -144.11 141.52 30.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 110.391 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.491 ' CE1' ' HG3' ' A' ' 82' ' ' GLU . 91.0 m-85 -132.27 132.44 43.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.742 HD11 ' CE1' ' A' ' 103' ' ' PHE . 17.4 mt -130.36 143.82 39.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.538 ' O ' ' HB2' ' A' ' 98' ' ' ALA . 0.1 OUTLIER -70.13 137.78 51.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 110.027 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.76 -67.79 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.594 ' HB3' ' CD2' ' A' ' 97' ' ' HIS . 19.4 tttt -52.29 -25.18 8.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.594 ' CD2' ' HB3' ' A' ' 96' ' ' LYS . 0.1 OUTLIER -122.0 44.96 2.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.575 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.538 ' HB2' ' O ' ' A' ' 94' ' ' SER . . . -91.49 -47.22 7.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.345 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -57.46 -26.21 60.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.303 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.512 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 0.0 OUTLIER -78.46 -2.3 37.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.358 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 48.19 65.56 1.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.554 ' CD1' ' HA ' ' A' ' 116' ' ' PRO . 49.2 m0 -111.37 131.77 54.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 107.98 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.742 ' CE1' HD11 ' A' ' 93' ' ' ILE . 97.2 m-85 -110.77 148.84 31.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.735 HG13 HD11 ' A' ' 68' ' ' LEU . 69.1 t -65.01 -92.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.346 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.431 ' N ' HG12 ' A' ' 104' ' ' VAL . . . 52.89 169.79 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.488 1.117 . . . . 0.0 111.018 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.908 HD23 ' HA ' ' A' ' 112' ' ' CYS . 71.1 mt -138.08 159.67 41.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 0.761 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.01 -177.11 6.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.45 -14.91 51.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -86.87 -3.91 59.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.334 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 82.75 42.77 8.1 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.492 1.12 . . . . 0.0 111.04 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -136.96 151.74 49.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 0.766 . . . . 0.0 109.993 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . 0.908 ' HA ' HD23 ' A' ' 106' ' ' LEU . 7.4 m -66.3 135.94 55.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 108.291 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 114' ' ' ARG . 0.0 OUTLIER -89.55 130.78 35.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.283 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.449 ' C ' ' O ' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -34.74 128.9 0.45 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 110.333 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.59 ' N ' ' CD ' ' A' ' 116' ' ' PRO . . . -59.36 -45.85 94.8 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.562 1.164 . . . . 0.0 110.987 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' A' ' 115' ' ' GLY . 18.2 Cg_endo -75.01 7.14 3.0 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.552 1.817 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 8.2 mmt180 -125.6 47.07 2.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.296 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.409 HG22 ' CE ' ' A' ' 113' ' ' LYS . 4.1 p -125.32 168.56 13.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.349 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.423 ' HB2' ' NE2' ' A' ' 122' ' ' GLN . 52.9 m80 -144.74 160.31 41.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.553 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -90.4 133.06 35.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 97.93 11.11 50.88 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.531 1.144 . . . . 0.0 110.973 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.423 ' NE2' ' HB2' ' A' ' 119' ' ' HIS . 15.8 mt-30 -91.68 150.17 21.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 0.768 . . . . 0.0 110.275 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.459 ' CG ' ' HB3' ' A' ' 12' ' ' SER . 1.3 ttpt -74.03 -8.8 57.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.424 1.078 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.51 -62.7 1.58 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.516 HG22 ' CB ' ' A' ' 103' ' ' PHE . 6.5 pt -53.62 -39.49 38.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.437 HD23 HG23 ' A' ' 91' ' ' THR . 92.8 mt -63.12 130.87 46.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 109.333 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.492 ' CD2' HD12 ' A' ' 9' ' ' LEU . 0.5 OUTLIER -132.38 155.44 48.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.986 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.698 HD23 ' HD2' ' A' ' 129' ' ' PRO . 0.4 OUTLIER -131.85 114.06 15.22 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . 0.698 ' HD2' HD23 ' A' ' 128' ' ' LEU . 18.2 Cg_endo -75.03 115.69 4.36 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.528 1.804 . . . . 0.0 111.001 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.513 ' CD2' ' O ' ' A' ' 128' ' ' LEU . 3.4 mm? -92.93 141.47 24.23 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 109.287 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 109.74 2.99 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.497 1.788 . . . . 0.0 110.959 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.503 HG12 ' O ' ' A' ' 6' ' ' PRO . 5.1 p -118.24 142.11 34.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 12.3 t 62.5 135.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.008 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.86 175.06 0.17 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 109.965 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' ' 136' ' ' LEU . 0.3 OUTLIER -119.02 -50.52 2.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.439 ' O ' ' CB ' ' A' ' 137' ' ' GLU . 0.1 OUTLIER 46.41 -171.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.439 ' CB ' ' O ' ' A' ' 136' ' ' LEU . 2.1 mt-10 165.19 95.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.304 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 3.0 t60 62.09 127.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.592 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -142.61 -77.54 0.25 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.618 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 22.1 t60 49.76 97.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.599 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.0 168.21 4.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.624 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -67.06 117.04 8.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 109.635 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.632 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.513 0.197 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 51.3 p-10 -137.41 158.32 44.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -123.4 127.28 48.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -69.12 131.94 45.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.4 mttm -157.67 162.95 26.28 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 154.84 42.86 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.539 1.81 . . . . 0.0 110.984 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.33 158.86 43.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.453 ' O ' ' HA ' ' A' ' 129' ' ' PRO . 4.8 mt -108.07 141.53 39.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.486 HD22 ' N ' ' A' ' 9' ' ' LEU . 2.4 mm? -91.93 113.35 25.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.582 1.176 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.644 ' HB2' HD23 ' A' ' 130' ' ' LEU . 86.7 t80 -98.83 115.82 29.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 111.016 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 13' ' ' ASN . 12.7 t -88.92 88.52 7.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 108.28 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 11' ' ' CYS . 37.5 p -37.67 -31.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.984 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 11' ' ' CYS . 9.2 t-20 -43.95 -55.44 4.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.469 ' CA ' ' HG3' ' A' ' 108' ' ' LYS . . . -120.15 -33.51 1.04 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.504 1.128 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.469 ' HA2' ' CE1' ' A' ' 10' ' ' TYR . . . 93.89 57.23 1.33 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -123.77 164.87 18.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 0.752 . . . . 0.0 109.576 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -107.77 142.21 38.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 111.012 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.678 HD12 HD21 ' A' ' 106' ' ' LEU . 10.9 tp -78.46 112.25 15.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.865 ' HB3' HG22 ' A' ' 37' ' ' ILE . 5.3 ptm180 -115.84 149.74 38.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.312 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.64 HD11 ' HB2' ' A' ' 60' ' ' LEU . 20.8 mt -125.15 117.53 50.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.526 HD12 ' HB ' ' A' ' 25' ' ' THR . 20.1 mt -83.34 156.06 66.17 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -2.34 12.42 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.501 1.79 . . . . 0.0 110.994 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -95.61 2.79 54.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.36 45.12 8.25 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.523 1.14 . . . . 0.0 110.964 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.526 ' HB ' HD12 ' A' ' 21' ' ' LEU . 3.1 m -124.68 147.73 48.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 0.775 . . . . 0.0 110.353 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.1 t -132.35 119.75 40.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -145.79 161.08 40.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.72 136.68 13.0 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.504 1.128 . . . . 0.0 110.977 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.423 ' CG2' HG21 ' A' ' 37' ' ' ILE . 4.4 t -139.42 139.91 37.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 0.745 . . . . 0.0 110.425 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.6 ttt-85 -110.81 47.81 0.96 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.284 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -136.47 99.38 4.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.337 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.8 mtm180 -52.05 -28.54 17.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.31 -48.8 3.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.009 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.79 145.32 41.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' A' ' 38' ' ' GLN . 6.0 mm100 -106.14 -40.19 5.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.264 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.514 ' CD2' ' HG2' ' A' ' 55' ' ' GLU . 41.9 m80 -46.22 -28.8 1.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.604 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.865 HG22 ' HB3' ' A' ' 19' ' ' ARG . 13.9 pt -57.73 -40.6 76.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 35' ' ' GLN . 27.5 mt-30 -46.26 101.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.601 HD23 ' HA ' ' A' ' 53' ' ' SER . 17.4 mt -106.72 147.45 29.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.456 ' HB2' ' CG2' ' A' ' 54' ' ' THR . 0.0 OUTLIER -105.14 115.12 29.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 110.313 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.8 mp -100.53 136.28 40.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.142 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.415 ' O ' ' HA ' ' A' ' 49' ' ' VAL . 36.5 t -141.34 162.94 34.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 110.01 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -118.95 125.96 50.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.405 ' HG2' ' OG ' ' A' ' 45' ' ' SER . 0.4 OUTLIER -110.47 -40.81 4.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 110.3 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.405 ' OG ' ' HG2' ' A' ' 44' ' ' GLU . 0.8 OUTLIER -127.59 166.46 17.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.985 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 74.7 t -64.1 118.91 7.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.69 7.3 87.28 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.121 . . . . 0.0 110.997 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.785 ' HG2' HD23 ' A' ' 81' ' ' LEU . 23.8 mt-10 -115.28 135.36 54.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 0.777 . . . . 0.0 110.311 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.415 ' HA ' ' O ' ' A' ' 42' ' ' SER . 20.7 m -133.19 153.08 36.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -118.77 132.2 56.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 16.8 mt -113.27 122.09 66.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 26.6 ttpt -138.8 145.89 40.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.601 ' HA ' HD23 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -78.7 136.22 37.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.578 1.174 . . . . 0.0 110.025 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.456 ' CG2' ' HB2' ' A' ' 40' ' ' GLN . 61.6 p -91.46 -7.98 49.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 110.388 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.514 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.8 OUTLIER -94.59 -77.47 0.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.289 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 35.1 p -62.75 -61.8 2.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.407 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 118.46 43.05 0.56 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -120.22 162.9 18.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 0.756 . . . . 0.0 110.321 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -108.31 139.07 43.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.64 ' HB2' HD11 ' A' ' 20' ' ' ILE . 5.8 tp -77.37 115.92 17.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.498 ' HB2' ' SG ' ' A' ' 78' ' ' CYS . . . -135.89 154.82 51.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.425 ' HE2' ' HB2' ' A' ' 62' ' ' MET . 29.6 tpp -103.55 136.33 43.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 111.048 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.431 ' OD1' ' N ' ' A' ' 67' ' ' LEU . 0.9 OUTLIER -92.58 173.23 7.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 109.331 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 69.9 p -65.04 -22.22 66.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.359 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.478 ' HB3' HD13 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -74.68 -3.82 33.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.81 5.61 89.39 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.471 1.107 . . . . 0.0 111.03 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.478 HD13 ' HB3' ' A' ' 65' ' ' ASP . 4.0 mp -91.71 168.06 11.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 0.788 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 1.004 HD11 HG13 ' A' ' 104' ' ' VAL . 34.5 mt -108.01 138.61 43.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.554 ' CD1' ' C ' ' A' ' 69' ' ' TYR . 2.9 p90 -148.31 161.02 42.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.989 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -91.01 125.67 8.09 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.434 1.084 . . . . 0.0 111.018 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.6 t -91.76 139.67 30.45 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.46 0.741 . . . . 0.0 109.987 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.7 -37.27 85.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.256 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.9 p -124.55 160.36 53.67 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 110.421 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 105.13 2.02 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.504 1.791 . . . . 0.0 111.024 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -115.16 157.16 24.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.351 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.57 -32.1 5.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.276 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -59.31 -26.37 64.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.324 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.498 ' SG ' ' HB2' ' A' ' 61' ' ' ALA . 51.9 m -80.2 -16.39 54.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 108.298 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.589 HD11 ' HB3' ' A' ' 48' ' ' GLU . 2.4 tp -85.32 120.86 27.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.227 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -118.45 165.23 14.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 111.036 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.785 HD23 ' HG2' ' A' ' 48' ' ' GLU . 5.8 mt -103.66 120.58 41.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -109.31 145.95 35.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.081 . . . . 0.0 110.335 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.09 156.36 32.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 110.317 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.8 tt -92.68 120.12 32.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.488 ' OE1' ' CD2' ' A' ' 126' ' ' LEU . 0.0 OUTLIER -106.15 156.05 18.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.516 ' O ' ' CB ' ' A' ' 87' ' ' ASN . 32.8 mt-10 -65.66 97.44 0.32 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.457 1.098 . . . . 0.0 110.265 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.516 ' CB ' ' O ' ' A' ' 86' ' ' GLU . 0.7 OUTLIER 153.98 41.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.337 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.516 ' C ' ' O ' ' A' ' 87' ' ' ASN . 15.2 t-80 30.6 46.92 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.57 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.461 ' CE1' HD22 ' A' ' 128' ' ' LEU . 3.7 m-85 -145.25 163.44 34.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 111.036 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -123.4 159.25 29.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.2 p -130.41 158.19 40.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.379 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.443 ' HE2' HD12 ' A' ' 9' ' ' LEU . 46.0 m-85 -136.92 133.86 36.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 111.034 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.663 HD11 ' CE1' ' A' ' 103' ' ' PHE . 62.0 mt -135.79 152.38 30.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.03 139.02 46.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.987 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 23.4 tttt -70.23 -58.23 4.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.494 ' HB3' ' CD2' ' A' ' 97' ' ' HIS . 4.2 mttt -56.44 -25.48 50.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.531 ' CD2' ' N ' ' A' ' 97' ' ' HIS . 0.3 OUTLIER -123.74 50.93 1.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.605 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -83.63 -38.25 21.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.336 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -74.62 -17.06 60.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.511 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 33.5 mttt -78.52 -6.98 56.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.148 . . . . 0.0 109.261 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 48.56 64.05 1.84 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.511 ' CD1' ' O ' ' A' ' 100' ' ' LYS . 47.1 m0 -112.42 131.8 55.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 108.006 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.663 ' CE1' HD11 ' A' ' 93' ' ' ILE . 98.2 m-85 -114.49 148.75 37.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.959 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 1.004 HG13 HD11 ' A' ' 68' ' ' LEU . 88.9 t -66.83 -79.21 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' A' ' 104' ' ' VAL . . . 53.22 166.17 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.121 . . . . 0.0 111.0 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.81 HD23 ' HA ' ' A' ' 112' ' ' CYS . 42.8 mt -139.29 135.06 33.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 0.772 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.566 ' N ' ' O ' ' A' ' 111' ' ' SER . 0.0 OUTLIER -67.63 149.26 50.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.573 1.171 . . . . 0.0 109.303 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.469 ' HG3' ' CA ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER -65.53 -9.76 29.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -84.97 -3.07 58.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 85.82 39.09 8.28 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.448 1.093 . . . . 0.0 110.969 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.566 ' O ' ' N ' ' A' ' 107' ' ' LYS . 74.4 m -136.04 168.03 20.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 0.763 . . . . 0.0 110.038 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . 0.81 ' HA ' HD23 ' A' ' 106' ' ' LEU . 23.0 p -83.03 135.69 34.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 108.256 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.525 ' HD3' HG22 ' A' ' 118' ' ' THR . 0.6 OUTLIER -89.6 124.61 34.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.41 152.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.325 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.484 ' C ' ' H ' ' A' ' 117' ' ' ARG . . . -72.36 -55.7 6.71 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.504 1.128 . . . . 0.0 110.971 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.422 ' HB3' ' NE1' ' A' ' 102' ' ' TRP . 18.1 Cg_endo -75.03 36.48 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.521 1.801 . . . . 0.0 111.03 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.484 ' H ' ' C ' ' A' ' 115' ' ' GLY . 2.6 mmt-85 -142.6 18.04 2.01 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.525 HG22 ' HD3' ' A' ' 113' ' ' LYS . 1.7 p -118.54 166.9 12.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 110.392 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -169.53 166.63 10.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.575 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -73.09 133.64 44.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 110.946 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 118.71 -25.79 7.88 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -76.34 149.24 37.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 110.317 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 18.7 tttt -93.01 26.5 2.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -100.86 -47.68 4.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 8.2 pt -58.7 -36.88 62.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.28 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.488 ' CD2' ' OE1' ' A' ' 85' ' ' GLU . 50.3 mt -55.11 127.49 29.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -138.32 146.27 42.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 111.05 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.678 ' O ' HD22 ' A' ' 130' ' ' LEU . 6.1 tp -133.02 114.88 14.0 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . 0.453 ' HA ' ' O ' ' A' ' 8' ' ' LEU . 18.4 Cg_endo -74.99 109.49 2.94 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.49 1.784 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.678 HD22 ' O ' ' A' ' 128' ' ' LEU . 2.9 mm? -91.38 132.8 32.75 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 130' ' ' LEU . 18.3 Cg_endo -75.03 104.42 1.9 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.499 1.789 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 8.1 p -82.02 -7.1 10.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -160.39 149.69 17.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.978 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 49.3 p 59.81 -175.75 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.985 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 163.85 -30.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.261 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.631 HD13 ' H ' ' A' ' 136' ' ' LEU . 0.0 OUTLIER -91.06 -169.48 2.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -139.66 143.14 37.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 110.298 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -109.4 124.82 51.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.608 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -93.38 127.81 39.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.561 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 33.8 t-80 -131.58 154.9 48.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.586 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -157.13 155.46 31.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.622 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . 0.448 ' CG ' ' N ' ' A' ' 143' ' ' HIS . 52.4 t60 -117.83 162.2 18.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.606 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . 0.448 ' N ' ' CG ' ' A' ' 142' ' ' HIS . 7.2 t-80 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 109.58 -179.994 . . . . . . . . 1 1 . 1 stop_ save_