data_2mol_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 2mol _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.464 ' CD2' HD11 ' A' ' 87' ' ' LEU . 6.0 mt . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.561 ' HB ' ' CE2' ' A' ' 86' ' ' PHE . 1.7 m -129.0 166.27 19.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.394 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.8 t -141.39 -170.06 3.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.555 1.159 . . . . 0.0 110.416 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.416 ' CD1' ' HB3' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -153.55 -170.44 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.424 1.077 . . . . 0.0 109.336 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.5 p -107.31 147.41 35.18 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.013 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.84 60.73 5.38 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.468 1.772 . . . . 0.0 111.031 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -163.29 -43.99 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.571 1.17 . . . . 0.0 109.582 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -91.44 -29.0 17.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.416 ' HB3' ' CD1' ' A' ' 5' ' ' ILE . . . -58.23 -21.03 46.37 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.437 1.086 . . . . 0.0 109.328 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 20.5 tm0? -79.11 -2.6 41.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.281 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -94.94 -35.65 11.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.586 1.178 . . . . 0.0 110.184 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.477 ' CD2' ' N ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -69.42 -49.66 53.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.426 1.079 . . . . 0.0 109.329 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 11.0 mt -59.95 -39.45 80.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.61 -3.92 46.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.1 mtp-105 -98.64 -20.87 16.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 110.274 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 130.83 42.41 0.2 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.603 1.189 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -111.67 131.27 55.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 0.785 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.23 134.89 35.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.254 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.473 ' HG ' ' CG2' ' A' ' 60' ' ' ILE . 6.1 tt -107.31 103.76 13.21 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.477 1.111 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.1 mp -86.05 115.53 27.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.236 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.459 ' OD1' ' N ' ' A' ' 22' ' ' ASP . 0.1 OUTLIER -91.17 106.49 18.55 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.407 HG21 ' CD1' ' A' ' 45' ' ' LEU . 5.0 pt -89.44 39.94 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.586 1.179 . . . . 0.0 109.253 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.643 ' NH1' ' CE1' ' A' ' 29' ' ' TYR . 3.1 ptp180 -116.88 -173.05 2.32 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.6 174.26 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.407 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 30' ' ' LEU . . . -120.66 -69.77 0.82 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.22 -39.97 74.79 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -59.27 -23.19 62.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 110.323 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.643 ' CE1' ' NH1' ' A' ' 24' ' ' ARG . 0.6 OUTLIER -118.64 0.82 11.59 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.502 1.126 . . . . 0.0 110.972 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 26' ' ' ALA . 2.4 tp -45.66 -25.99 0.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.6 1.188 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.423 ' N ' ' C ' ' A' ' 29' ' ' TYR . 2.8 mmp_? -54.15 -52.9 59.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.425 1.078 . . . . 0.0 110.301 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.562 ' HG3' ' CD1' ' A' ' 29' ' ' TYR . 1.1 pt-20 -116.84 152.54 34.22 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 0.0 110.34 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.552 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.2 OUTLIER -152.82 119.22 5.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.557 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -45.94 163.42 0.22 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.239 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.557 ' HG3' ' CE2' ' A' ' 95' ' ' TRP . 18.5 Cg_endo -74.95 47.57 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.486 1.782 . . . . 0.0 111.011 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.445 ' CB ' ' O ' ' A' ' 35' ' ' PRO . 2.9 mt-10 164.49 -86.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.276 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.438 ' O ' ' CG ' ' A' ' 38' ' ' ASP . . . 50.21 179.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.419 1.075 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 20' ' ' LEU . 53.7 m-20 -168.75 92.19 0.29 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.467 1.104 . . . . 0.0 109.245 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 38' ' ' ASP . 0.3 OUTLIER -38.21 119.5 0.8 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.481 ' O ' ' CD1' ' A' ' 45' ' ' LEU . . . -171.7 66.05 0.41 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.43 ' O ' ' N ' ' A' ' 44' ' ' VAL . 18.3 Cg_endo -74.97 163.6 35.06 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.441 1.758 . . . . 0.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 46' ' ' GLU . 0.9 OUTLIER -41.19 -39.02 1.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.349 179.878 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.404 ' N ' ' HG ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -55.27 -48.2 74.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.019 -179.929 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.507 ' O ' ' CB ' ' A' ' 48' ' ' SER . 74.4 t -78.24 -39.36 24.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.481 ' CD1' ' O ' ' A' ' 40' ' ' ALA . 9.5 mt -64.93 -17.45 64.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 42' ' ' LEU . 4.0 mt-10 -101.74 -59.05 1.77 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.458 1.099 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.57 -39.82 92.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.261 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.507 ' CB ' ' O ' ' A' ' 44' ' ' VAL . 0.3 OUTLIER -89.9 -54.58 3.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.99 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.34 -157.73 15.37 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.517 1.135 . . . . 0.0 111.032 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -46.13 141.05 4.8 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.508 0.769 . . . . 0.0 109.367 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 54' ' ' LEU . 18.5 Cg_endo -75.04 65.16 6.11 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.492 1.785 . . . . 0.0 110.991 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.48 -52.03 63.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.2 ptmt -54.57 -20.17 7.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.264 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 51' ' ' PRO . 0.3 OUTLIER -130.07 39.3 3.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.364 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.404 ' N ' ' O ' ' A' ' 51' ' ' PRO . 4.2 ttt-85 -114.19 137.63 51.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 110.319 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 25.9 t-80 -139.47 -95.55 0.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.567 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -119.91 -52.61 2.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.293 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -132.1 119.07 20.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 110.329 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.1 pt -111.39 146.73 15.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.591 1.182 . . . . 0.0 109.241 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.473 ' CG2' ' HG ' ' A' ' 20' ' ' LEU . 5.9 tt -102.7 163.73 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -146.04 97.14 2.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 111.0 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.504 ' O ' ' CB ' ' A' ' 63' ' ' CYS . 8.0 t60 -176.61 169.71 2.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.641 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 62' ' ' HIS . 0.8 OUTLIER 159.85 56.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 108.32 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -156.16 176.35 12.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.272 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -116.73 45.75 1.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 109.263 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 82.95 100.16 0.51 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.518 1.136 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -134.15 -78.12 0.46 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.496 0.762 . . . . 0.0 109.337 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.73 73.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.151 . . . . 0.0 110.363 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.7 m -89.55 -47.38 8.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.434 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.7 t -47.4 -25.4 1.03 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.946 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -45.16 -61.62 1.57 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 16.0 m-20 -128.15 48.93 2.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.09 . . . . 0.0 109.294 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -91.88 -5.85 52.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.535 1.147 . . . . 0.0 109.238 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 77' ' ' ALA . 0.0 OUTLIER -83.99 -77.93 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.422 1.076 . . . . 0.0 109.377 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.1 -26.79 0.81 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.453 1.096 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 9.8 mt -66.98 -44.43 80.43 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 74' ' ' ASP . . . -62.38 -25.45 67.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -89.05 -13.5 38.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.345 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 12.2 mt -82.53 -30.32 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.473 ' CB ' HD13 ' A' ' 85' ' ' ILE . . . -97.45 18.08 16.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.568 ' CB ' ' HA ' ' A' ' 82' ' ' PRO . . . -100.95 167.35 10.91 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.568 ' HA ' ' CB ' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -75.04 119.74 6.18 Favored 'Cis proline' 0 C--N 1.359 1.124 0 C-N-CA 120.99 -2.504 . . . . 0.0 111.015 0.033 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.562 ' N ' ' HA ' ' A' ' 81' ' ' ALA . . . -174.07 159.51 3.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -83.3 103.97 13.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 110.321 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.473 HD13 ' CB ' ' A' ' 80' ' ' ALA . 1.6 mm -97.41 148.31 5.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 109.356 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.561 ' CE2' ' HB ' ' A' ' 3' ' ' THR . 29.8 m-85 -145.18 162.16 37.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.135 . . . . 0.0 110.946 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.464 HD11 ' CD2' ' A' ' 2' ' ' LEU . 20.2 mt -113.97 158.48 21.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.481 ' HB3' ' CG ' ' A' ' 62' ' ' HIS . 0.4 OUTLIER -103.53 120.49 40.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 91' ' ' GLY . 0.6 OUTLIER -37.67 129.99 1.07 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 110.303 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 89' ' ' GLU . 4.0 m-20 -38.95 96.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 89' ' ' GLU . . . 157.53 106.27 0.23 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.5 ' O ' ' CD1' ' A' ' 92' ' ' ILE . 0.0 OUTLIER -62.6 -14.09 12.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.462 0.742 . . . . 0.0 109.335 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.51 ' O ' ' N ' ' A' ' 95' ' ' TRP . 4.0 m-20 -39.03 -93.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.252 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 42.86 -91.07 0.01 OUTLIER Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.57 ' CE3' HD12 ' A' ' 100' ' ' LEU . 6.8 t-105 -61.85 -33.52 74.33 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 16.8 tttt -86.29 -8.89 57.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.337 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.9 tptp -58.82 -22.64 59.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.487 ' CB ' HD11 ' A' ' 100' ' ' LEU . . . -108.01 23.56 14.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.266 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 55.95 49.54 66.31 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.607 1.192 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.57 HD12 ' CE3' ' A' ' 95' ' ' TRP . 0.3 OUTLIER -115.51 120.51 36.12 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.52 0.776 . . . . 0.0 109.311 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 149.96 37.36 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.385 1.729 . . . . 0.0 111.001 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.43 HG11 ' CD1' ' A' ' 95' ' ' TRP . 33.7 m -79.49 -177.0 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 109.255 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.552 ' O ' ' CD2' ' A' ' 33' ' ' HIS . . . -80.04 111.48 16.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.7 t -99.33 171.24 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 109.267 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.376 179.955 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.423 ' N ' HD22 ' A' ' 2' ' ' LEU . 1.2 mt . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.5 m -122.09 165.58 15.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.572 1.17 . . . . 0.0 110.432 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 87' ' ' LEU . 5.7 t -169.34 136.88 1.8 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.408 1.067 . . . . 0.0 110.487 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.451 HD13 ' CB ' ' A' ' 10' ' ' ALA . 27.6 pt -140.39 -171.92 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 O-C-N 124.455 1.097 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 m -104.61 158.66 31.52 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 110.006 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.482 ' CA ' HD21 ' A' ' 88' ' ' LEU . 18.0 Cg_endo -75.03 58.46 4.92 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.477 1.778 . . . . 0.0 110.956 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -129.76 -45.18 1.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 109.593 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.26 -20.83 13.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.462 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . . . -72.57 -28.07 62.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.7 tm0? -73.41 -2.82 23.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.341 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -96.27 -49.98 4.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.234 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.462 ' CD2' ' HA ' ' A' ' 10' ' ' ALA . 1.0 OUTLIER -64.3 -37.57 87.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.423 1.077 . . . . 0.0 109.229 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.506 ' HA ' ' CB ' ' A' ' 18' ' ' ALA . 5.6 mt -62.65 -47.31 93.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.88 -9.39 57.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.412 1.07 . . . . 0.0 109.252 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -91.51 -22.69 20.25 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 0.0 110.384 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 161.88 -40.03 0.39 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.506 ' CB ' ' HA ' ' A' ' 14' ' ' ILE . . . -42.65 117.09 0.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 0.776 . . . . 0.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.62 157.68 24.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.474 ' CD1' ' CG2' ' A' ' 60' ' ' ILE . 0.3 OUTLIER -113.76 126.04 54.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 25.1 mm -128.39 143.23 41.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -138.55 142.84 39.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.589 1.181 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.42 ' CG2' HD13 ' A' ' 45' ' ' LEU . 42.4 pt -96.24 41.82 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.476 ' CZ ' ' OE1' ' A' ' 28' ' ' GLU . 3.7 ptm180 -84.03 177.34 8.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -87.11 176.46 7.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.347 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 29' ' ' TYR . . . -92.86 -49.08 6.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.464 1.102 . . . . 0.0 109.35 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -50.28 -27.82 6.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.421 1.076 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.476 ' OE1' ' CZ ' ' A' ' 24' ' ' ARG . 0.6 OUTLIER -76.34 -29.89 57.43 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.562 ' O ' ' CD1' ' A' ' 29' ' ' TYR . 3.9 t80 -86.5 -4.04 59.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.8 tp -65.48 -33.19 75.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.44 -76.67 0.61 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.448 1.093 . . . . 0.0 110.278 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.82 173.23 12.8 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 110.273 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.466 ' HB3' ' CB ' ' A' ' 103' ' ' ALA . 0.7 OUTLIER -143.74 -139.29 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 109.575 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.515 HG22 ' CB ' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -157.95 163.72 23.7 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.35 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.6 ' HG3' ' CD1' ' A' ' 95' ' ' TRP . 18.2 Cg_endo -74.98 80.96 2.31 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.527 1.804 . . . . 0.0 110.931 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 65.49 105.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.515 ' CB ' HG22 ' A' ' 34' ' ' ILE . . . -169.56 -173.29 1.62 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -154.43 121.57 5.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.31 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.8 135.51 51.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 109.318 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.496 ' O ' ' CD1' ' A' ' 45' ' ' LEU . . . -171.3 87.09 0.47 Allowed Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.467 1.104 . . . . 0.0 109.309 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 42' ' ' LEU . 18.2 Cg_endo -75.03 152.0 40.09 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.483 1.781 . . . . 0.0 111.047 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 46' ' ' GLU . 0.6 OUTLIER -38.25 -38.3 0.34 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.596 1.185 . . . . 0.0 109.296 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.77 -62.1 1.87 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.627 1.204 . . . . 0.0 109.925 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 48' ' ' SER . 44.6 t -70.33 -37.33 70.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.496 ' CD1' ' O ' ' A' ' 40' ' ' ALA . 13.5 mt -64.6 -17.97 64.48 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.424 1.078 . . . . 0.0 109.264 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 42' ' ' LEU . 0.9 OUTLIER -96.53 -45.45 6.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 110.345 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.27 -23.42 57.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.581 1.176 . . . . 0.0 110.341 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 44' ' ' VAL . 2.2 t -102.51 -56.88 2.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.007 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.422 ' O ' ' N ' ' A' ' 51' ' ' PRO . . . 83.44 161.94 32.29 Favored Glycine 0 CA--C 1.528 0.869 0 O-C-N 124.511 1.132 . . . . 0.0 111.08 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 49' ' ' GLY . 1.0 OUTLIER -38.8 99.2 0.19 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.446 0.733 . . . . 0.0 109.31 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.422 ' N ' ' O ' ' A' ' 49' ' ' GLY . 18.5 Cg_endo -74.91 152.63 41.46 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.428 1.751 . . . . 0.0 111.049 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.69 -39.32 73.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.44 -23.85 17.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.346 1.029 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.3 mt -130.52 39.46 3.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 109.273 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 64.7 ttt180 -107.9 134.94 50.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.254 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -148.95 -164.24 1.98 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.458 1.099 . . . . 0.0 109.575 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -86.17 -32.92 20.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 110.293 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -142.51 113.16 7.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.412 1.07 . . . . 0.0 110.285 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.602 ' O ' ' CE1' ' A' ' 86' ' ' PHE . 1.8 pp -111.76 152.18 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.574 ' HB ' ' CE2' ' A' ' 86' ' ' PHE . 19.8 tt -110.87 163.01 7.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.407 ' N ' ' O ' ' A' ' 86' ' ' PHE . 1.1 m-85 -135.82 152.93 51.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -147.57 107.24 3.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.607 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -49.35 -71.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 108.282 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -162.42 -50.02 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 110.317 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -154.2 57.5 0.71 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.539 1.15 . . . . 0.0 109.351 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 53.87 174.19 0.07 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.489 1.118 . . . . 0.0 110.974 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? 66.78 157.63 0.12 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.478 0.752 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 58.84 35.35 24.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.428 ' C ' ' N ' ' A' ' 71' ' ' ASN . 69.8 p -101.14 -69.27 0.78 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 110.414 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.408 ' N ' ' OG1' ' A' ' 69' ' ' THR . 1.9 t -42.58 -27.77 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.049 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.428 ' N ' ' C ' ' A' ' 69' ' ' THR . 3.3 t-20 -45.77 -49.63 14.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.547 1.154 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -141.24 50.79 1.6 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.54 -21.44 38.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.24 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.24 -57.34 3.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.91 -50.61 14.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.329 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 70.3 mt -65.65 -42.45 91.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.583 1.177 . . . . 0.0 109.278 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.41 -11.91 47.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.538 1.148 . . . . 0.0 109.274 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -99.64 -15.58 18.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 2.0 mt -79.31 -14.19 13.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.43 1.081 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.478 ' CB ' HD12 ' A' ' 85' ' ' ILE . . . -136.87 45.21 2.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.412 1.07 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.533 ' CB ' ' HA ' ' A' ' 82' ' ' PRO . . . -103.89 165.02 14.18 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.453 1.095 . . . . 0.0 109.352 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.533 ' HA ' ' CB ' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -75.06 1.12 16.26 Favored 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 120.956 -2.518 . . . . 0.0 110.989 0.035 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 82' ' ' PRO . . . -37.36 147.98 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.431 1.082 . . . . 0.0 109.264 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -75.21 120.7 21.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.411 1.07 . . . . 0.0 110.254 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.478 HD12 ' CB ' ' A' ' 80' ' ' ALA . 2.7 mm -114.12 152.24 15.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.606 1.191 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.602 ' CE1' ' O ' ' A' ' 59' ' ' ILE . 30.7 p90 -175.28 156.88 2.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.57 1.169 . . . . 0.0 111.018 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.451 ' CD1' ' N ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -130.52 158.29 40.34 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.482 HD21 ' CA ' ' A' ' 7' ' ' PRO . 1.0 OUTLIER -98.73 117.15 32.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.568 1.167 . . . . 0.0 109.239 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -42.7 -70.21 0.11 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.472 1.107 . . . . 0.0 110.262 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -61.64 -60.92 2.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.243 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 65.3 -113.01 5.46 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.456 1.098 . . . . 0.0 111.018 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 11.5 mm -50.53 -50.44 21.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.489 0.758 . . . . 0.0 109.34 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.25 -37.97 70.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.533 1.146 . . . . 0.0 109.243 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -73.55 -48.44 17.93 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.465 1.103 . . . . 0.0 110.969 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.632 ' CD1' ' O ' ' A' ' 100' ' ' LEU . 57.2 t-105 -50.93 -44.09 60.19 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.2 tttm -75.72 -26.8 57.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.313 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 27.2 tttt -54.51 -20.02 6.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.454 ' HB2' ' CD1' ' A' ' 100' ' ' LEU . . . -109.99 24.14 13.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 53.38 43.16 65.61 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.46 1.1 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.632 ' O ' ' CD1' ' A' ' 95' ' ' TRP . 4.1 mt -122.06 103.37 39.56 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.533 0.784 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 179.63 5.91 Favored 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.422 1.748 . . . . 0.0 110.978 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 20.0 m -88.94 -166.33 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.62 1.2 . . . . 0.0 109.298 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.466 ' CB ' ' HB3' ' A' ' 33' ' ' HIS . . . -91.89 97.21 10.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.0 t -97.87 173.42 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.344 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 63.5 t30 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.372 179.929 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.7 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.8 m -103.06 165.94 10.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.419 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.9 t -137.38 134.04 35.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 110.42 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.442 ' O ' ' CB ' ' A' ' 6' ' ' SER . 1.9 pp -148.2 -174.36 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.085 . . . . 0.0 109.279 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.494 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 0.6 OUTLIER 163.68 -52.34 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.466 1.104 . . . . 0.0 110.037 -179.925 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 6' ' ' SER . 18.1 Cg_endo -75.06 -162.22 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.432 1.754 . . . . 0.0 111.012 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -44.13 -30.81 0.82 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.465 1.103 . . . . 0.0 109.607 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -53.76 -39.64 65.52 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.422 1.076 . . . . 0.0 109.271 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.57 -26.72 60.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.423 1.077 . . . . 0.0 109.303 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -81.0 1.11 32.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.32 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -98.11 -51.28 4.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.188 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.473 HD12 ' CD1' ' A' ' 60' ' ' ILE . 3.3 pp -62.55 -32.86 73.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.105 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 69.4 mt -67.38 -47.66 80.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.61 -7.79 49.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.574 1.171 . . . . 0.0 109.285 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -90.32 -22.01 21.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 110.272 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.596 ' O ' ' CD2' ' A' ' 56' ' ' HIS . . . 131.26 -4.27 5.57 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.529 1.143 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.465 ' CB ' ' O ' ' A' ' 13' ' ' LEU . . . -56.9 155.56 7.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.576 0.809 . . . . 0.0 109.319 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.03 152.03 41.35 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.472 HD21 ' CB ' ' A' ' 37' ' ' ALA . 0.5 OUTLIER -126.02 149.03 49.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -122.83 152.51 27.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.443 ' HA ' ' CD2' ' A' ' 62' ' ' HIS . 2.5 t70 -115.39 114.51 25.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.5 pt -120.72 53.27 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.366 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.648 ' CZ ' ' CG ' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -126.07 179.55 5.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.305 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.441 ' O ' ' NE ' ' A' ' 24' ' ' ARG . 1.7 m-20 -40.83 146.23 0.16 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.542 1.151 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -115.87 -36.36 4.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.323 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -79.17 -30.71 43.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -83.45 -22.4 32.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.083 . . . . 0.0 110.294 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.648 ' CG ' ' CZ ' ' A' ' 24' ' ' ARG . 0.3 OUTLIER -110.88 -0.62 16.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 111.026 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 29' ' ' TYR . 0.9 OUTLIER -40.12 -32.65 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.413 ' N ' ' C ' ' A' ' 29' ' ' TYR . 5.0 mtp180 -79.1 -63.16 1.48 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 110.313 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.54 165.74 4.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.277 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.451 ' HB3' ' CB ' ' A' ' 103' ' ' ALA . 3.2 t-160 -135.31 -140.33 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.532 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.509 HG23 ' CB ' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -155.02 162.35 27.42 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.088 . . . . 0.0 109.278 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.59 ' HG3' ' CD1' ' A' ' 95' ' ' TRP . 18.2 Cg_endo -75.07 -47.01 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.439 1.757 . . . . 0.0 111.026 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -152.19 92.19 1.68 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 110.275 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.509 ' CB ' HG23 ' A' ' 34' ' ' ILE . . . 176.02 -176.72 0.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.366 1.041 . . . . 0.0 109.366 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.429 ' CB ' HD12 ' A' ' 54' ' ' LEU . 0.1 OUTLIER -159.17 130.25 6.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 179.917 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.468 ' CD1' ' HD3' ' A' ' 41' ' ' PRO . 12.3 tp -40.02 145.14 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 180.0 73.46 0.17 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 109.224 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.468 ' HD3' ' CD1' ' A' ' 39' ' ' LEU . 18.6 Cg_endo -75.04 160.9 39.48 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.516 1.798 . . . . 0.0 111.028 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.501 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -39.05 -34.76 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.573 1.17 . . . . 0.0 109.327 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.408 ' N ' ' HG ' ' A' ' 42' ' ' LEU . 38.8 p -57.14 -58.14 9.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 110.043 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 29.1 t -73.79 -32.66 35.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.113 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 15.8 mt -72.03 -14.39 61.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.501 ' CG ' ' O ' ' A' ' 42' ' ' LEU . 2.8 mm-40 -95.69 -45.19 7.12 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.51 1.131 . . . . 0.0 110.271 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -81.43 -28.03 34.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.209 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.68 -64.39 1.29 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.548 1.155 . . . . 0.0 110.04 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 51' ' ' PRO . . . 85.64 -170.02 43.63 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.456 1.097 . . . . 0.0 110.996 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 49' ' ' GLY . 13.9 tp -37.9 98.71 0.17 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.473 0.749 . . . . 0.0 109.26 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.441 ' N ' ' O ' ' A' ' 49' ' ' GLY . 18.3 Cg_endo -75.1 143.01 28.25 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.51 1.795 . . . . 0.0 110.95 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.38 -35.96 81.65 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.81 -19.88 60.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 0.0 109.253 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.429 HD12 ' CB ' ' A' ' 38' ' ' ASP . 1.6 mt -135.28 39.82 2.88 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.8 ttt85 -103.99 133.49 48.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.324 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 17' ' ' GLY . 3.0 t60 -142.87 -147.91 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.598 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -109.47 -16.71 13.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.276 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.3 109.08 1.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.205 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.457 ' CG1' HD12 ' A' ' 85' ' ' ILE . 1.0 OUTLIER -107.33 -175.17 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.473 ' CD1' HD12 ' A' ' 13' ' ' LEU . 7.7 mt -140.68 173.13 10.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 109.228 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.43 ' CE2' ' HB3' ' A' ' 76' ' ' LEU . 1.5 m-85 -136.69 134.14 36.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 111.055 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.443 ' CD2' ' HA ' ' A' ' 22' ' ' ASP . 0.0 OUTLIER -135.12 154.37 51.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.607 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -106.26 -169.61 1.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 108.256 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -66.57 -22.37 66.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 110.309 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -168.27 51.57 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 46.31 -163.5 0.13 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.465 1.103 . . . . 0.0 111.017 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.46 151.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 0.765 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 60.37 60.25 2.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.097 . . . . 0.0 110.312 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 92.0 m -119.14 -53.06 2.27 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.543 1.152 . . . . 0.0 110.44 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 28.0 t -55.16 -25.14 30.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.984 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -47.7 -50.13 25.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -144.04 54.25 1.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.243 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -83.63 -17.8 40.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.198 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.27 -55.1 5.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.601 1.188 . . . . 0.0 109.338 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.23 -42.12 39.47 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.43 ' HB3' ' CE2' ' A' ' 61' ' ' PHE . 83.1 mt -64.54 -43.58 93.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.118 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.59 -19.56 65.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.244 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -92.8 -9.5 40.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 109.364 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.5 mt -88.17 -29.6 5.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 109.293 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -115.34 38.48 3.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.142 . . . . 0.0 109.265 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.492 ' CB ' ' HA ' ' A' ' 82' ' ' PRO . . . -98.03 163.31 19.64 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.255 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.492 ' HA ' ' CB ' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -74.97 -0.94 17.38 Favored 'Cis proline' 0 C--N 1.361 1.185 0 C-N-CA 121.023 -2.491 . . . . 0.0 111.08 0.012 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -41.72 140.86 0.9 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.352 1.032 . . . . 0.0 109.276 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -76.6 127.31 32.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.364 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.457 HD12 ' CG1' ' A' ' 59' ' ' ILE . 7.4 mm -113.7 154.42 15.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.589 1.18 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -134.58 -179.11 5.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 111.084 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.3 mt -112.99 151.25 30.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.471 ' CD1' ' HA ' ' A' ' 6' ' ' SER . 51.9 tp -131.97 73.03 1.51 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -43.32 100.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 110.27 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 66.62 87.03 0.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.337 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 94' ' ' GLY . . . -73.53 -70.39 1.24 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.521 1.138 . . . . 0.0 111.073 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.6 tp -47.03 -38.8 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.462 0.742 . . . . 0.0 109.342 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.7 -31.11 46.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 91' ' ' GLY . . . -72.62 -30.47 64.1 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.501 1.126 . . . . 0.0 110.977 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.61 ' CD1' ' O ' ' A' ' 100' ' ' LEU . 32.1 t-105 -79.86 -39.08 31.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.04 0.35 45.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.259 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.98 -17.58 61.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -115.37 22.91 12.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 0.0 109.328 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 60.7 49.92 73.34 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.572 1.17 . . . . 0.0 111.022 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.61 ' O ' ' CD1' ' A' ' 95' ' ' TRP . 0.5 OUTLIER -133.48 99.25 14.51 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.506 0.768 . . . . 0.0 109.324 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 171.96 17.27 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.452 1.764 . . . . 0.0 111.056 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.401 ' HB ' ' C ' ' A' ' 33' ' ' HIS . 35.2 m -84.03 -174.0 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.451 ' CB ' ' HB3' ' A' ' 33' ' ' HIS . . . -82.22 101.51 10.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.254 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.0 t -96.65 179.69 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.243 -179.93 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.574 ' HB ' ' CE2' ' A' ' 86' ' ' PHE . 1.8 m -111.27 166.22 11.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.415 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.459 ' CG2' ' HA ' ' A' ' 89' ' ' GLU . 22.6 m -148.87 137.07 20.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.583 1.177 . . . . 0.0 110.397 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.3 pp -148.16 172.28 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.093 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.1 m -76.46 152.39 83.49 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.608 1.192 . . . . 0.0 110.014 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.92 -19.87 17.63 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.517 1.799 . . . . 0.0 111.079 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.24 -30.63 71.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.588 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -103.24 -21.25 13.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.468 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . . . -69.11 -28.32 66.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.623 1.202 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.2 tm0? -76.09 -0.24 21.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.58 1.175 . . . . 0.0 110.261 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -98.57 -49.4 4.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.615 1.197 . . . . 0.0 110.242 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.468 ' CD2' ' HA ' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -64.4 -40.79 96.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.389 1.056 . . . . 0.0 109.332 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.478 ' CD1' ' CG2' ' A' ' 60' ' ' ILE . 9.3 mt -61.59 -44.94 99.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.419 1.074 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.2 -9.34 58.31 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.577 1.173 . . . . 0.0 109.235 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -91.25 -22.65 20.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.245 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.425 ' C ' ' CE1' ' A' ' 56' ' ' HIS . . . 156.51 -32.73 0.58 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.537 1.148 . . . . 0.0 111.027 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.429 ' CB ' ' HA ' ' A' ' 14' ' ' ILE . . . -46.19 121.59 3.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 0.752 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.91 160.84 21.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.277 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -117.17 152.82 33.96 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.499 HG23 ' CB ' ' A' ' 61' ' ' PHE . 0.8 OUTLIER -135.39 156.48 38.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.429 ' OD2' ' NH1' ' A' ' 24' ' ' ARG . 0.2 OUTLIER -119.14 121.72 40.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 109.348 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.463 ' CD1' ' HA ' ' A' ' 63' ' ' CYS . 7.6 pt -110.73 54.48 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.429 ' NH1' ' OD2' ' A' ' 22' ' ' ASP . 0.0 OUTLIER -138.33 -179.08 5.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.342 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.22 -175.62 0.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 30' ' ' LEU . . . -111.02 -35.62 5.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.081 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -47.99 -45.8 31.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.407 ' CD ' ' CD ' ' A' ' 24' ' ' ARG . 13.7 pt-20 -66.8 -29.08 68.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.446 1.092 . . . . 0.0 110.279 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -82.54 -23.22 34.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 111.051 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.465 ' CD1' ' C ' ' A' ' 30' ' ' LEU . 1.3 tm? -52.76 -39.23 62.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -94.44 -71.24 0.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.326 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -81.37 167.23 19.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 110.28 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.465 ' HB3' ' CB ' ' A' ' 103' ' ' ALA . 5.3 t-160 -132.24 -143.66 0.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.579 1.174 . . . . 0.0 109.595 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.537 ' CG2' ' CB ' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -158.41 163.86 23.05 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.587 ' HG3' ' CD1' ' A' ' 95' ' ' TRP . 18.1 Cg_endo -75.08 85.38 1.54 Allowed 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.619 1.852 . . . . 0.0 110.882 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 64.66 99.87 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.621 1.201 . . . . 0.0 110.268 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.537 ' CB ' ' CG2' ' A' ' 34' ' ' ILE . . . -175.42 -172.54 0.57 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.577 1.173 . . . . 0.0 109.257 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.457 ' CB ' HD11 ' A' ' 54' ' ' LEU . 0.2 OUTLIER -162.51 129.87 3.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.79 135.3 19.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -174.63 74.5 0.32 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 109.359 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.1 163.1 35.78 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.431 1.753 . . . . 0.0 110.923 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 46' ' ' GLU . 4.0 pp -40.59 -38.36 0.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.0 m -52.79 -61.66 2.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.989 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.418 ' O ' ' N ' ' A' ' 48' ' ' SER . 50.8 t -71.19 -35.14 57.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.2 mt -65.98 -17.71 64.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.207 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 42' ' ' LEU . 3.8 mt-10 -104.22 -46.53 4.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.13 -35.1 69.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 110.282 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 44' ' ' VAL . 3.7 t -98.32 -59.37 1.76 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 109.969 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 94.49 171.72 37.92 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.401 1.063 . . . . 0.0 111.048 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.459 HD22 ' CB ' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -49.58 105.9 0.56 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.493 0.76 . . . . 0.0 109.288 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.89 179.95 5.55 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.493 1.786 . . . . 0.0 111.021 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -102.3 -9.05 20.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -86.55 -15.28 40.44 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.601 1.188 . . . . 0.0 109.323 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.457 HD11 ' CB ' ' A' ' 38' ' ' ASP . 4.8 mt -135.94 41.61 2.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.5 ttt85 -100.05 154.48 18.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.266 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.425 ' CE1' ' C ' ' A' ' 17' ' ' GLY . 1.6 t-80 -173.03 -154.22 0.07 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.137 . . . . 0.0 109.633 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -95.07 -52.69 4.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.371 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -135.54 110.06 8.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.316 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.8 pt -93.1 139.77 17.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.478 ' CG2' ' CD1' ' A' ' 14' ' ' ILE . 8.0 tt -127.44 128.08 69.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.499 ' CB ' HG23 ' A' ' 21' ' ' ILE . 29.3 p90 -142.17 -169.53 2.96 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.547 1.155 . . . . 0.0 111.001 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.568 ' CE1' ' HB3' ' A' ' 88' ' ' LEU . 0.0 OUTLIER -146.33 164.49 32.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.607 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.463 ' HA ' ' CD1' ' A' ' 23' ' ' ILE . 0.1 OUTLIER -75.51 -68.7 0.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 108.224 -179.886 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.407 ' O ' ' CB ' ' A' ' 65' ' ' ALA . 1.7 tt0 -167.08 -68.41 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.462 1.101 . . . . 0.0 110.288 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.407 ' CB ' ' O ' ' A' ' 64' ' ' GLN . . . 169.64 82.57 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 177.77 176.24 45.62 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 43.5 tttm -76.25 71.82 2.98 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.466 0.745 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.53 80.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 110.323 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 40.6 p -119.01 -5.6 10.53 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.393 1.058 . . . . 0.0 110.417 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.413 ' C ' ' N ' ' A' ' 72' ' ' ASN . 0.6 OUTLIER -67.43 -52.29 41.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.572 1.17 . . . . 0.0 110.039 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 45.65 26.17 0.32 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.39 1.056 . . . . 0.0 109.28 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.413 ' N ' ' C ' ' A' ' 70' ' ' SER . 3.5 m-80 65.28 63.12 0.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.366 1.041 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -47.51 -33.21 6.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.193 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -49.11 -49.51 41.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 79' ' ' ILE . 0.4 OUTLIER -68.82 -48.46 63.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.546 1.154 . . . . 0.0 109.394 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 80' ' ' ALA . 97.0 mt -51.96 -42.48 62.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -53.81 -52.13 61.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.11 -29.48 65.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.234 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.421 ' N ' ' O ' ' A' ' 75' ' ' LYS . 0.1 OUTLIER -68.77 -36.02 72.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.919 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.502 ' CB ' ' CD1' ' A' ' 85' ' ' ILE . . . -110.73 40.28 2.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.34 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.496 ' CB ' ' HA ' ' A' ' 82' ' ' PRO . . . -99.02 163.49 18.63 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.496 ' HA ' ' CB ' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -75.0 -1.35 17.79 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.972 -2.512 . . . . 0.0 111.0 -0.021 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -49.91 157.29 0.62 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -92.67 150.56 20.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.247 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.6 ' O ' ' CD1' ' A' ' 86' ' ' PHE . 35.3 mm -120.33 166.04 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.087 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.6 ' CD1' ' O ' ' A' ' 85' ' ' ILE . 16.1 m-85 -161.43 170.0 20.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.1 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 37.1 mt -120.69 157.54 29.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.568 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -96.33 37.44 1.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.459 ' HA ' ' CG2' ' A' ' 4' ' ' THR . 4.3 tt0 81.7 -72.35 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 110.246 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.428 ' CB ' ' O ' ' A' ' 89' ' ' GLU . 0.8 OUTLIER 160.34 121.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 86.14 104.55 0.75 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.434 1.084 . . . . 0.0 111.003 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.471 ' CG2' ' HB3' ' A' ' 62' ' ' HIS . 1.9 pp -56.94 -24.66 20.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.507 0.769 . . . . 0.0 109.394 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 97' ' ' LYS . 0.5 OUTLIER -41.21 -29.84 0.14 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.093 . . . . 0.0 109.304 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.417 ' N ' ' C ' ' A' ' 92' ' ' ILE . . . -48.99 -33.76 14.36 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.348 1.03 . . . . 0.0 110.971 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.611 ' CD1' ' O ' ' A' ' 100' ' ' LEU . 36.4 t-105 -63.52 -65.07 0.73 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.2 ptmm? -61.24 -17.49 53.61 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.443 1.089 . . . . 0.0 109.269 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 93' ' ' ASP . 9.5 tmtt? -63.6 -13.29 40.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.439 ' HB1' ' CD1' ' A' ' 100' ' ' LEU . . . -112.13 23.62 13.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.416 1.073 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 62.46 41.0 99.81 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.54 1.15 . . . . 0.0 110.906 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.611 ' O ' ' CD1' ' A' ' 95' ' ' TRP . 1.8 mt -136.27 98.62 11.29 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.441 0.73 . . . . 0.0 109.257 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -176.09 2.7 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.478 1.778 . . . . 0.0 110.952 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 17.7 m -90.53 -177.43 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.465 ' CB ' ' HB3' ' A' ' 33' ' ' HIS . . . -82.93 104.87 13.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.409 1.068 . . . . 0.0 109.242 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -102.3 178.82 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.585 1.178 . . . . 0.0 109.222 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 22.3 m-20 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 109.279 -179.985 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.423 ' CD2' ' HB1' ' A' ' 73' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.8 m -130.15 166.15 20.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 110.436 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.8 t -143.05 139.84 30.7 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.507 1.129 . . . . 0.0 110.44 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.2 pt -148.01 -176.51 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.428 1.08 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.42 161.63 78.15 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.547 1.154 . . . . 0.0 109.988 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.424 ' O ' ' N ' ' A' ' 11' ' ' GLN . 18.7 Cg_endo -74.89 -40.92 0.79 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.504 1.792 . . . . 0.0 111.064 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -54.16 -50.12 67.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.554 1.159 . . . . 0.0 109.621 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.99 -44.75 68.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.567 1.167 . . . . 0.0 109.328 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.39 -25.96 64.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.224 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 7' ' ' PRO . 13.0 tp60 -72.49 -4.44 30.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 110.361 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -96.65 -31.73 12.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.18 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.438 HD22 ' N ' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -74.7 -49.87 19.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.152 . . . . 0.0 109.376 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.46 ' HA ' ' CB ' ' A' ' 18' ' ' ALA . 6.2 mt -61.56 -39.75 84.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.29 -4.42 39.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.599 1.187 . . . . 0.0 109.382 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -98.09 -19.38 17.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 110.336 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 152.44 -31.08 0.86 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.509 1.131 . . . . 0.0 111.004 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.46 ' CB ' ' HA ' ' A' ' 14' ' ' ILE . . . -46.43 139.73 4.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 109.341 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.469 ' HD3' ' CD2' ' A' ' 54' ' ' LEU . 0.2 OUTLIER -92.51 157.73 16.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.085 . . . . 0.0 109.249 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -128.43 123.52 33.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.2 mp -114.18 150.1 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.456 ' OD1' ' NE2' ' A' ' 62' ' ' HIS . 1.4 t0 -128.13 114.74 17.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.259 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.2 pt -89.77 42.57 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.532 ' HD3' ' CG ' ' A' ' 29' ' ' TYR . 4.5 ptp180 -98.16 -177.03 3.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.264 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.24 -171.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 109.273 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -106.13 -98.92 0.34 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.419 ' HA ' ' CB ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -68.4 -27.22 66.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -57.08 -40.84 77.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 110.318 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.532 ' CG ' ' HD3' ' A' ' 24' ' ' ARG . 0.4 OUTLIER -107.63 1.02 22.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 111.015 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.419 ' CB ' ' HA ' ' A' ' 27' ' ' ASP . 2.1 tp -44.31 -25.61 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.49 ' O ' ' CG2' ' A' ' 104' ' ' VAL . 0.1 OUTLIER -44.55 -50.27 9.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.329 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -96.94 147.26 24.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 110.29 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.47 ' O ' ' O ' ' A' ' 34' ' ' ILE . 9.2 t60 -119.06 -13.02 9.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.578 1.174 . . . . 0.0 109.566 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.497 HG23 ' CB ' ' A' ' 37' ' ' ALA . 0.0 OUTLIER 56.9 156.24 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.521 ' HG3' ' CE2' ' A' ' 95' ' ' TRP . 18.3 Cg_endo -75.13 96.37 1.02 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.557 1.819 . . . . 0.0 110.965 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.417 ' HB3' ' O ' ' A' ' 35' ' ' PRO . 30.7 tt0 68.08 91.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.216 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.497 ' CB ' HG23 ' A' ' 34' ' ' ILE . . . -134.47 -174.71 3.65 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 39' ' ' LEU . 0.4 OUTLIER -167.47 102.22 0.5 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 38' ' ' ASP . 0.2 OUTLIER -39.57 135.78 1.09 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -177.68 81.61 0.24 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.087 . . . . 0.0 109.322 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 42' ' ' LEU . 18.2 Cg_endo -75.07 148.38 34.95 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.43 1.753 . . . . 0.0 110.968 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 46' ' ' GLU . 0.9 OUTLIER -39.05 -41.06 0.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.095 . . . . 0.0 109.341 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -50.58 -60.76 2.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.978 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.503 ' O ' ' CB ' ' A' ' 48' ' ' SER . 57.8 t -69.68 -41.43 80.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.1 mt -57.95 -24.16 56.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 42' ' ' LEU . 2.5 mt-10 -95.62 -58.87 2.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.322 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.78 -24.62 62.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 110.28 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 44' ' ' VAL . 1.6 t -101.58 -48.49 4.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.564 1.165 . . . . 0.0 110.016 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 51' ' ' PRO . . . 85.9 177.46 50.12 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.552 1.158 . . . . 0.0 111.014 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 49' ' ' GLY . 1.7 tp -37.52 98.21 0.15 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.616 0.833 . . . . 0.0 109.309 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.447 ' N ' ' O ' ' A' ' 49' ' ' GLY . 18.2 Cg_endo -74.93 142.94 28.71 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.429 1.752 . . . . 0.0 110.967 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.94 -45.42 70.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.269 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.2 pttt -50.12 -23.34 2.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.419 1.074 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.469 ' CD2' ' HD3' ' A' ' 19' ' ' LYS . 2.5 mt -127.9 39.2 3.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 -111.35 131.03 55.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -159.59 -151.73 0.28 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.437 1.085 . . . . 0.0 109.635 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.78 -54.76 4.86 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.144 . . . . 0.0 110.324 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.514 ' HB3' ' CE2' ' A' ' 86' ' ' PHE . 1.8 mt-30 -135.34 119.06 17.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.603 1.189 . . . . 0.0 110.255 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.403 ' CD1' HG23 ' A' ' 85' ' ' ILE . 1.1 pt -100.33 179.0 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 109.263 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 21.5 mm -134.39 155.5 39.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.095 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -140.21 142.75 35.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 110.98 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.558 ' CE1' ' O ' ' A' ' 63' ' ' CYS . 0.0 OUTLIER -142.22 136.72 30.15 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 109.572 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.558 ' O ' ' CE1' ' A' ' 62' ' ' HIS . 0.1 OUTLIER -89.54 178.87 6.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 108.331 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -41.79 -59.61 1.63 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 110.278 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -141.38 59.32 1.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.253 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 41.89 -161.45 0.03 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.535 1.147 . . . . 0.0 111.015 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.15 61.35 2.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 0.787 . . . . 0.0 109.329 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.43 56.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.467 1.105 . . . . 0.0 110.274 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.9 p -120.35 -56.51 1.98 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.391 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 38.0 t -47.94 -32.25 6.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.974 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -47.03 -45.56 21.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -155.33 60.35 0.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.423 ' HB1' ' CD2' ' A' ' 2' ' ' LEU . . . -72.62 -34.81 67.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.71 -53.5 57.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.254 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.3 mmtm -51.22 -45.12 61.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 79.1 mt -61.7 -42.21 98.64 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -75.28 -5.03 42.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -117.92 11.95 13.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 2.9 mt -101.69 -34.07 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.413 ' HB3' ' CD1' ' A' ' 85' ' ' ILE . . . -123.85 48.71 1.84 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.499 ' CB ' ' HA ' ' A' ' 82' ' ' PRO . . . -102.88 163.63 17.18 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.499 ' HA ' ' CB ' ' A' ' 81' ' ' ALA . 18.1 Cg_endo -75.06 -0.64 17.48 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 120.978 -2.509 . . . . 0.0 110.957 0.057 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -41.42 159.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -88.56 153.7 20.93 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.597 1.185 . . . . 0.0 110.254 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.566 ' O ' ' CD1' ' A' ' 86' ' ' PHE . 5.8 mt -144.59 154.56 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.566 ' CD1' ' O ' ' A' ' 85' ' ' ILE . 21.9 m-85 -145.29 147.04 31.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 111.064 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 19.5 mt -82.67 159.11 22.71 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.4 1.063 . . . . 0.0 109.323 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -122.51 91.34 3.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.596 1.185 . . . . 0.0 109.353 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -39.78 112.45 0.26 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.427 1.08 . . . . 0.0 110.298 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 60.8 116.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -75.04 -98.33 0.11 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.512 1.132 . . . . 0.0 110.932 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 10.9 mm -54.36 -55.09 16.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.485 0.756 . . . . 0.0 109.29 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.41 -26.77 8.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -75.98 -49.88 8.26 Favored Glycine 0 CA--C 1.529 0.914 0 O-C-N 124.563 1.164 . . . . 0.0 111.061 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.521 ' CE2' ' HG3' ' A' ' 35' ' ' PRO . 46.7 t-105 -67.89 -37.75 82.16 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.14 0.5 44.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.573 1.171 . . . . 0.0 109.279 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -14.43 42.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.429 ' CB ' HD11 ' A' ' 100' ' ' LEU . . . -126.92 27.35 6.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.455 1.097 . . . . 0.0 109.341 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 55.52 44.96 85.64 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.47 1.106 . . . . 0.0 110.995 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.431 ' HB3' ' CZ2' ' A' ' 95' ' ' TRP . 2.6 mt -111.0 111.82 55.99 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.452 0.736 . . . . 0.0 109.367 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 160.75 39.81 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.456 1.766 . . . . 0.0 110.986 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.412 ' HB ' ' HA ' ' A' ' 34' ' ' ILE . 18.7 m -91.37 -163.36 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.47 ' CB ' ' HB3' ' A' ' 33' ' ' HIS . . . -96.99 73.4 2.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.541 ' CG1' ' N ' ' A' ' 105' ' ' ASN . 4.2 p -83.91 -143.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.59 1.181 . . . . 0.0 109.263 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.541 ' N ' ' CG1' ' A' ' 104' ' ' VAL . 4.3 m-20 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.472 ' CD2' ' HB2' ' A' ' 77' ' ' ALA . 5.4 mt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.682 ' CG2' ' CE2' ' A' ' 86' ' ' PHE . 13.4 m -146.6 171.02 15.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.378 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.4 m -140.56 166.08 25.7 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 0.0 110.493 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.3 tt -173.0 171.48 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -110.05 152.52 43.13 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.012 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 82.66 1.96 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.505 1.792 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -167.76 -51.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.582 1.176 . . . . 0.0 109.598 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.92 -26.58 15.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.468 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . . . -61.26 -24.14 66.16 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.447 1.092 . . . . 0.0 109.247 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -77.05 -0.39 24.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.243 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -101.11 -48.19 4.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.354 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.468 ' CD2' ' HA ' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -66.95 -34.81 78.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.265 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.514 ' HA ' ' CB ' ' A' ' 18' ' ' ALA . 49.7 mt -65.95 -46.97 86.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.38 -6.61 44.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.218 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.3 mtp-105 -95.21 -21.98 18.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 165.36 -44.15 0.29 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.492 1.12 . . . . 0.0 110.965 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.514 ' CB ' ' HA ' ' A' ' 14' ' ' ILE . . . -43.44 125.97 4.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 0.0 109.28 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.95 152.78 18.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.449 HD12 ' CG2' ' A' ' 60' ' ' ILE . 0.5 OUTLIER -119.16 118.42 31.31 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.445 1.091 . . . . 0.0 109.293 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.5 mp -103.43 146.29 11.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.322 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.85 108.99 17.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.8 pt -105.19 49.83 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.1 ptt180 -117.48 -176.0 2.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.43 1.081 . . . . 0.0 110.301 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.02 151.02 19.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' A' ' 29' ' ' TYR . . . -77.53 -44.21 29.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.267 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -52.28 -28.39 18.73 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 109.374 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -73.05 -26.97 61.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.28 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.404 ' N ' ' O ' ' A' ' 26' ' ' ALA . 34.9 t80 -91.09 -19.03 23.58 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 tp -50.35 -40.53 49.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.2 mtm180 -101.56 -73.4 0.65 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -57.9 155.75 10.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.444 1.09 . . . . 0.0 110.304 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.466 ' O ' ' C ' ' A' ' 34' ' ' ILE . 2.8 t60 -164.86 85.14 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.568 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.5 ' C ' ' H ' ' A' ' 36' ' ' GLU . 52.6 mt -35.98 145.64 0.22 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.545 1.153 . . . . 0.0 109.262 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.594 ' HG3' ' CE2' ' A' ' 95' ' ' TRP . 18.2 Cg_endo -75.0 27.67 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.47 1.774 . . . . 0.0 110.949 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.5 ' H ' ' C ' ' A' ' 34' ' ' ILE . 2.6 tt0 173.12 76.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.276 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -163.43 176.02 10.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -162.25 120.03 2.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.455 ' CD1' ' HD3' ' A' ' 41' ' ' PRO . 0.2 OUTLIER -47.18 138.04 7.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 173.33 79.54 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.455 ' HD3' ' CD1' ' A' ' 39' ' ' LEU . 18.1 Cg_endo -75.04 151.71 39.69 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.55 1.816 . . . . 0.0 110.961 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 46' ' ' GLU . 0.8 OUTLIER -41.45 -40.19 1.71 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.373 1.046 . . . . 0.0 109.278 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.408 ' N ' ' HG ' ' A' ' 42' ' ' LEU . 2.7 m -51.65 -56.55 13.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 110.031 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.488 ' O ' ' CB ' ' A' ' 48' ' ' SER . 61.8 t -72.08 -43.7 66.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.5 mt -58.7 -21.09 53.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.356 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 42' ' ' LEU . 2.3 mt-10 -86.18 -63.89 1.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.282 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.94 -19.79 63.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.412 1.07 . . . . 0.0 110.26 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 44' ' ' VAL . 8.4 t -100.68 -44.77 5.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.981 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 51' ' ' PRO . . . 84.1 146.04 7.17 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.432 1.082 . . . . 0.0 111.035 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 49' ' ' GLY . 4.6 tp -37.84 98.72 0.17 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.536 0.786 . . . . 0.0 109.287 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.441 ' N ' ' O ' ' A' ' 49' ' ' GLY . 18.2 Cg_endo -75.03 158.67 41.97 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.484 1.781 . . . . 0.0 111.066 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.54 -36.8 71.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.297 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.01 -22.32 10.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.7 mt -131.43 39.87 3.47 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.556 1.16 . . . . 0.0 109.249 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.6 ttt180 -115.06 134.45 55.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 110.407 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -150.43 -165.57 2.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.589 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -81.39 -51.73 8.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.417 1.073 . . . . 0.0 110.312 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -141.51 91.45 2.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -86.73 172.51 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.449 ' CG2' HD12 ' A' ' 20' ' ' LEU . 10.7 tt -120.36 169.73 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -140.14 160.71 39.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.4 1.062 . . . . 0.0 110.979 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -172.93 152.39 2.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.59 1.181 . . . . 0.0 109.605 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 20.2 p -106.53 -157.27 0.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 108.273 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -41.05 -52.65 3.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.31 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -163.92 58.83 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 37.95 92.13 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 110.964 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.79 68.15 1.5 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.412 0.713 . . . . 0.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 73.07 99.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 48.7 p -115.76 -35.23 4.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 110.464 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.0 t -56.73 -19.35 16.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.972 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -52.9 -45.94 67.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -146.15 55.22 1.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.348 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -88.36 -30.56 19.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.75 -36.63 26.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.51 -37.8 85.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 82.6 mt -61.45 -43.92 98.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.347 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.472 ' HB2' ' CD2' ' A' ' 2' ' ' LEU . . . -55.26 -50.38 69.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.18 -26.81 66.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.226 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -72.47 -32.55 42.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.317 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.45 ' HB2' ' CD1' ' A' ' 85' ' ' ILE . . . -124.19 48.78 1.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.501 ' CB ' ' HA ' ' A' ' 82' ' ' PRO . . . -105.84 163.48 16.98 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.501 ' HA ' ' CB ' ' A' ' 81' ' ' ALA . 17.9 Cg_endo -75.09 -4.68 21.02 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 120.95 -2.521 . . . . 0.0 111.001 0.131 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -41.79 139.8 1.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.397 1.06 . . . . 0.0 109.234 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -77.16 136.99 38.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 110.274 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.469 ' HB ' ' CD1' ' A' ' 2' ' ' LEU . 10.9 mm -118.41 156.31 20.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.633 1.208 . . . . 0.0 109.256 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.682 ' CE2' ' CG2' ' A' ' 3' ' ' THR . 6.2 m-85 -135.85 166.83 22.39 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.467 1.104 . . . . 0.0 110.98 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.6 mt -115.57 150.5 36.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.24 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 89' ' ' GLU . 12.5 tp -121.08 115.78 23.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 88' ' ' LEU . 0.5 OUTLIER -38.15 -40.62 0.52 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.455 ' CB ' ' HB3' ' A' ' 93' ' ' ASP . 1.1 m-20 -157.79 134.34 9.73 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.495 1.122 . . . . 0.0 109.225 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -80.92 -83.25 0.76 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.478 1.111 . . . . 0.0 110.929 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 6.5 mm -55.17 -43.18 69.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.463 0.743 . . . . 0.0 109.287 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.455 ' HB3' ' CB ' ' A' ' 90' ' ' ASP . 0.8 OUTLIER -63.73 -12.93 39.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 109.27 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.453 ' O ' ' CB ' ' A' ' 97' ' ' LYS . . . -81.78 -55.73 3.1 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.615 1.197 . . . . 0.0 111.033 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.594 ' CE2' ' HG3' ' A' ' 35' ' ' PRO . 29.5 t-105 -65.62 -39.97 92.07 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.451 ' CG ' ' HA ' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -78.29 0.11 26.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.336 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.453 ' CB ' ' O ' ' A' ' 94' ' ' GLY . 3.2 tptm -62.43 -21.21 65.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.532 ' CB ' ' CD1' ' A' ' 100' ' ' LEU . . . -120.49 28.48 7.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.597 1.185 . . . . 0.0 109.236 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 61.33 35.54 91.11 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.578 1.174 . . . . 0.0 110.988 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.59 ' HB3' ' CZ2' ' A' ' 95' ' ' TRP . 0.2 OUTLIER -108.72 110.05 61.25 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.449 0.735 . . . . 0.0 109.349 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.429 ' O ' ' NE1' ' A' ' 95' ' ' TRP . 18.4 Cg_endo -74.94 156.01 43.26 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.475 1.776 . . . . 0.0 111.013 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 17.0 m -76.4 -179.08 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.595 1.185 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -79.37 79.26 5.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.6 t -91.16 170.14 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.434 1.083 . . . . 0.0 109.345 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 6.1 p30 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.375 179.931 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.569 ' HB ' ' CE2' ' A' ' 86' ' ' PHE . 1.6 m -127.78 165.33 20.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.37 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.418 ' CG2' ' HB3' ' A' ' 89' ' ' GLU . 1.8 m -124.2 153.29 41.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.419 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.3 pp -154.5 -172.6 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.591 1.182 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -97.31 152.87 38.49 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.077 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.477 ' CB ' ' HA3' ' A' ' 94' ' ' GLY . 18.0 Cg_endo -74.98 -51.49 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.465 1.771 . . . . 0.0 110.937 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -47.76 -32.86 6.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.415 1.072 . . . . 0.0 109.611 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.8 -34.17 21.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 109.369 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.465 ' O ' ' CD1' ' A' ' 14' ' ' ILE . . . -62.04 -27.87 69.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.195 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.5 tm0? -76.42 -0.3 22.31 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.601 1.188 . . . . 0.0 110.325 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -104.79 -32.49 8.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.374 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.403 ' CD2' ' N ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -76.76 -44.32 33.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.15 . . . . 0.0 109.29 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.465 ' CD1' ' O ' ' A' ' 10' ' ' ALA . 6.0 mt -64.2 -38.5 82.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.79 -7.88 58.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.415 1.072 . . . . 0.0 109.238 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.12 -22.78 18.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 110.263 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.601 ' O ' ' CE1' ' A' ' 56' ' ' HIS . . . 151.52 -23.5 0.95 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.23 146.86 22.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 0.753 . . . . 0.0 109.305 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.43 ' CD ' HD22 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -111.91 161.38 16.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.423 ' CD1' ' HB ' ' A' ' 60' ' ' ILE . 0.5 OUTLIER -126.57 152.57 46.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 109.255 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.515 ' O ' ' CD1' ' A' ' 61' ' ' PHE . 16.9 mm -139.78 115.86 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.429 1.081 . . . . 0.0 109.353 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.6 147.55 23.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.1 pp -106.67 46.21 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.4 ptp180 -105.7 -174.3 2.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 110.353 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -76.59 -173.97 2.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.133 . . . . 0.0 109.326 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 29' ' ' TYR . . . -91.73 -61.33 1.66 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -42.11 -45.75 4.08 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.409 ' O ' ' O ' ' A' ' 32' ' ' GLU . 1.6 mt-10 -51.88 -42.95 63.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.356 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.443 ' N ' ' O ' ' A' ' 26' ' ' ALA . 9.7 t80 -78.35 -24.13 46.6 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.449 1.093 . . . . 0.0 111.023 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.7 tt -44.41 -31.35 1.04 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.231 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.44 -86.78 0.62 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 110.224 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.409 ' O ' ' O ' ' A' ' 28' ' ' GLU . 1.7 pm0 -92.86 155.03 17.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.299 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.569 ' CE1' ' HB3' ' A' ' 103' ' ' ALA . 1.9 p80 -156.0 -104.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 109.523 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.523 ' CG2' ' CB ' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -149.43 163.63 24.31 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.239 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.553 ' HG3' ' CE2' ' A' ' 95' ' ' TRP . 18.4 Cg_endo -75.0 93.13 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.54 1.811 . . . . 0.0 111.034 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.43 ' CB ' ' O ' ' A' ' 35' ' ' PRO . 27.1 tt0 80.97 76.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.252 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.523 ' CB ' ' CG2' ' A' ' 34' ' ' ILE . . . -171.17 169.15 6.56 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.533 1.146 . . . . 0.0 109.205 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -147.83 123.44 10.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.447 ' CD1' ' N ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -41.43 137.35 1.52 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.432 ' CB ' ' CG2' ' A' ' 21' ' ' ILE . . . -163.89 78.35 1.58 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 42' ' ' LEU . 18.3 Cg_endo -75.14 162.01 37.45 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.411 1.742 . . . . 0.0 111.007 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.503 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 2.0 pp -38.21 -36.09 0.2 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.587 1.179 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.9 -58.72 6.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.62 1.2 . . . . 0.0 110.021 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.511 ' O ' ' CB ' ' A' ' 48' ' ' SER . 0.9 OUTLIER -72.09 -41.06 67.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 39.2 mt -63.99 -14.0 50.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.334 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' A' ' 42' ' ' LEU . 3.4 mm-40 -99.71 -63.01 1.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.607 1.192 . . . . 0.0 110.337 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -42.55 85.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.339 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.511 ' CB ' ' O ' ' A' ' 44' ' ' VAL . 0.8 OUTLIER -82.5 -55.86 4.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.397 1.061 . . . . 0.0 109.999 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 51' ' ' PRO . . . 81.95 166.46 37.62 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.451 1.095 . . . . 0.0 111.033 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 49' ' ' GLY . 1.3 tt -37.91 98.51 0.16 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.583 0.814 . . . . 0.0 109.301 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.437 ' N ' ' O ' ' A' ' 49' ' ' GLY . 18.6 Cg_endo -74.91 135.89 19.87 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.535 1.808 . . . . 0.0 111.047 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.81 -42.99 85.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.376 1.048 . . . . 0.0 109.26 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.36 -22.31 2.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.43 HD22 ' CD ' ' A' ' 19' ' ' LYS . 2.8 mt -131.23 39.56 3.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 41.2 ttt180 -112.15 134.72 53.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 110.223 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.601 ' CE1' ' O ' ' A' ' 17' ' ' GLY . 0.1 OUTLIER -142.02 -163.34 1.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.618 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.39 -58.59 2.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 110.283 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.549 ' CD ' ' CE1' ' A' ' 86' ' ' PHE . 14.0 tt0 -128.0 100.83 6.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 110.319 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.1 pt -95.85 176.31 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.432 ' CG2' ' N ' ' A' ' 61' ' ' PHE . 64.9 mt -133.53 162.08 40.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.366 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.515 ' CD1' ' O ' ' A' ' 21' ' ' ILE . 1.0 OUTLIER -139.12 143.67 38.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.422 1.076 . . . . 0.0 111.014 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -140.53 131.99 26.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 109.581 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 86.6 m -81.5 -72.26 0.44 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.118 . . . . 0.0 108.276 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -170.65 -42.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.321 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -160.39 48.98 0.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.06 -71.66 1.94 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.504 1.128 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 60.07 -93.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 0.755 . . . . 0.0 109.242 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.32 86.67 0.26 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.499 1.124 . . . . 0.0 110.284 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 52.1 p -91.26 -27.64 18.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 110.453 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 48.3 t -64.86 -18.81 65.49 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.111 . . . . 0.0 110.061 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.429 ' OD1' ' ND2' ' A' ' 72' ' ' ASN . 18.4 t-20 -52.92 -43.3 66.15 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.494 1.121 . . . . 0.0 109.21 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.429 ' ND2' ' OD1' ' A' ' 71' ' ' ASN . 45.9 m-20 -151.18 57.35 0.9 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.428 1.08 . . . . 0.0 109.244 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -82.45 -15.78 51.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.595 1.184 . . . . 0.0 109.325 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -75.97 -36.91 59.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.405 1.066 . . . . 0.0 109.325 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -65.39 -47.7 75.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.345 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 85.5 mt -59.6 -42.86 93.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.29 -27.06 68.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.58 1.175 . . . . 0.0 109.258 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -89.47 -20.15 24.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.279 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.444 ' N ' ' O ' ' A' ' 75' ' ' LYS . 0.1 OUTLIER -75.34 -40.01 42.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.484 ' O ' ' CB ' ' A' ' 83' ' ' ALA . . . -107.85 37.75 2.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.494 ' CB ' ' HA ' ' A' ' 82' ' ' PRO . . . -95.75 163.51 21.07 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.494 ' HA ' ' CB ' ' A' ' 81' ' ' ALA . 17.9 Cg_endo -74.99 0.3 16.59 Favored 'Cis proline' 0 C--N 1.36 1.178 0 C-N-CA 121.044 -2.482 . . . . 0.0 110.931 0.061 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.484 ' CB ' ' O ' ' A' ' 80' ' ' ALA . . . -39.86 141.75 0.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.423 1.077 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -80.8 117.37 21.4 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.517 1.136 . . . . 0.0 110.334 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.403 ' CD1' ' HB1' ' A' ' 80' ' ' ALA . 5.9 mm -104.57 154.19 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.569 ' CE2' ' HB ' ' A' ' 3' ' ' THR . 8.2 m-85 -142.04 161.76 37.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 111.032 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -125.24 150.49 46.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.074 . . . . 0.0 109.353 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.25 146.88 50.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.418 ' HB3' ' CG2' ' A' ' 4' ' ' THR . 0.0 OUTLIER -76.52 60.55 1.63 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 110.342 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 62.18 139.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 67.67 108.11 0.02 OUTLIER Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.486 1.117 . . . . 0.0 111.039 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.412 ' O ' ' O ' ' A' ' 93' ' ' ASP . 0.6 OUTLIER -73.39 -4.79 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 0.753 . . . . 0.0 109.329 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.514 ' O ' ' N ' ' A' ' 95' ' ' TRP . 11.6 m-20 -40.22 -90.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.378 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.477 ' HA3' ' CB ' ' A' ' 7' ' ' PRO . . . 33.71 -92.62 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.573 1.171 . . . . 0.0 110.926 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.593 ' CZ2' ' HB3' ' A' ' 100' ' ' LEU . 15.8 t-105 -39.28 -71.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.466 ' CG ' ' HA ' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -52.56 -32.04 38.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 94' ' ' GLY . 15.9 tttm -56.26 -23.34 35.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.455 ' CB ' HD11 ' A' ' 100' ' ' LEU . . . -90.01 12.27 18.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 67.2 47.81 62.32 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.451 1.095 . . . . 0.0 111.038 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.593 ' HB3' ' CZ2' ' A' ' 95' ' ' TRP . 0.8 OUTLIER -137.46 118.25 10.63 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.495 0.762 . . . . 0.0 109.269 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 172.96 15.35 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.488 1.783 . . . . 0.0 111.008 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 15.6 m -79.85 -178.24 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.595 1.185 . . . . 0.0 109.277 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.569 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . . . -80.17 115.85 19.95 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.1 t -113.82 -172.15 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.435 1.084 . . . . 0.0 109.299 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 24.3 t30 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 109.248 179.967 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.574 ' HB ' ' CD2' ' A' ' 86' ' ' PHE . 2.2 m -132.8 166.39 22.37 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.575 1.172 . . . . 0.0 110.401 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.5 t -160.43 145.26 14.5 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.12 . . . . 0.0 110.459 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 29.2 pt -147.03 -171.61 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.242 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.8 p -94.57 157.69 36.71 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.002 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 60.3 5.47 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.473 1.775 . . . . 0.0 110.983 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -140.56 -47.24 0.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.55 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.84 -28.99 16.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.83 -23.85 65.4 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.418 1.074 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.32 -3.74 35.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -96.13 -29.66 13.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.561 1.163 . . . . 0.0 110.256 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.448 ' N ' HD21 ' A' ' 13' ' ' LEU . 0.5 OUTLIER -79.13 -43.53 23.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.598 1.186 . . . . 0.0 109.314 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 20.4 mm -65.02 -38.44 82.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.229 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.11 -3.04 47.14 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 109.393 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.85 -20.73 19.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.258 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 146.12 -17.14 1.73 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.446 1.091 . . . . 0.0 110.985 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.38 144.6 56.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 0.774 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.04 167.03 12.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.372 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.61 129.07 40.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.509 ' CG2' ' CE1' ' A' ' 61' ' ' PHE . 16.7 mt -132.49 155.73 41.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.434 1.084 . . . . 0.0 109.29 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -148.13 147.44 29.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 25.4 pt -94.74 43.21 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 -63.34 -178.46 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 110.276 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.424 ' CG ' ' N ' ' A' ' 26' ' ' ALA . 10.1 t70 -100.24 168.42 9.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.282 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.424 ' N ' ' CG ' ' A' ' 25' ' ' ASP . . . -68.16 -61.62 1.77 Allowed 'General case' 0 C--N 1.323 -0.582 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.411 ' N ' ' OD1' ' A' ' 25' ' ' ASP . 0.0 OUTLIER -54.09 -26.65 28.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -78.15 -14.36 59.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.227 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -104.63 -2.44 25.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.7 tp -62.3 -56.32 19.67 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -89.93 -64.42 1.14 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 110.327 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.468 ' HB3' ' CG2' ' A' ' 102' ' ' VAL . 46.3 mt-10 -76.4 155.45 34.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.318 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.446 ' O ' ' O ' ' A' ' 34' ' ' ILE . 79.2 m-70 -141.49 15.66 2.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.67 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.574 ' CG2' ' CB ' ' A' ' 37' ' ' ALA . 0.0 OUTLIER 55.39 163.63 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.606 ' HG3' ' CD1' ' A' ' 95' ' ' TRP . 18.3 Cg_endo -75.0 101.03 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.554 1.818 . . . . 0.0 111.034 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.442 ' O ' ' O ' ' A' ' 35' ' ' PRO . 2.8 tp10 42.41 96.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.582 1.176 . . . . 0.0 110.318 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.574 ' CB ' ' CG2' ' A' ' 34' ' ' ILE . . . -160.75 -174.07 4.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -150.36 125.99 10.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.78 143.34 42.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.422 ' HB1' ' CG2' ' A' ' 21' ' ' ILE . . . -169.83 69.52 0.62 Allowed Pre-proline 0 C--N 1.323 -0.55 0 O-C-N 124.534 1.146 . . . . 0.0 109.363 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 42' ' ' LEU . 17.9 Cg_endo -75.08 159.03 41.56 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.578 1.831 . . . . 0.0 110.954 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 46' ' ' GLU . 1.4 pp -39.53 -37.63 0.5 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.67 -54.5 40.84 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.503 1.127 . . . . 0.0 109.928 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 48' ' ' SER . 73.6 t -74.35 -36.96 44.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.2 mt -66.59 -17.03 64.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.221 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 42' ' ' LEU . 2.1 mt-10 -100.43 -42.85 6.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.148 . . . . 0.0 110.244 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.81 -26.36 54.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.428 1.08 . . . . 0.0 110.235 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -124.48 -63.74 1.17 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.145 . . . . 0.0 109.959 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 51' ' ' PRO . . . 95.03 179.25 37.31 Favored Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.441 1.088 . . . . 0.0 111.023 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 49' ' ' GLY . 6.5 tp -38.01 98.7 0.17 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.478 0.752 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.439 ' N ' ' O ' ' A' ' 49' ' ' GLY . 18.2 Cg_endo -75.04 131.19 13.96 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.492 1.785 . . . . 0.0 110.965 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.17 -40.42 70.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.357 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.41 -22.94 2.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.8 mt -130.27 39.71 3.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -123.18 143.74 49.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.244 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -162.36 -161.32 0.73 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.623 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -57.18 -48.94 77.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.327 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -144.74 148.38 34.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 110.301 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.414 ' CG1' ' N ' ' A' ' 60' ' ' ILE . 11.3 tt -144.45 164.46 13.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.363 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.416 ' O ' ' CD2' ' A' ' 61' ' ' PHE . 1.2 tt -111.26 -174.82 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.509 ' CE1' ' CG2' ' A' ' 21' ' ' ILE . 0.5 OUTLIER -173.12 144.08 1.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.55 ' CD2' ' HB3' ' A' ' 88' ' ' LEU . 0.2 OUTLIER -113.31 -175.28 2.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.578 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.408 ' O ' ' CB ' ' A' ' 64' ' ' GLN . 24.3 t -156.05 69.94 0.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 0.0 108.355 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.408 ' CB ' ' O ' ' A' ' 63' ' ' CYS . 0.0 OUTLIER 80.05 -70.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -170.01 65.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 39.55 72.01 0.24 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.539 1.149 . . . . 0.0 111.012 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.43 -85.78 0.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 0.771 . . . . 0.0 109.253 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.92 72.04 1.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 110.296 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.47 ' O ' ' CB ' ' A' ' 73' ' ' ALA . 23.3 p -66.42 -33.51 75.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.446 1.091 . . . . 0.0 110.367 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.4 t -44.38 -29.74 0.73 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 110.072 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -51.01 -63.7 1.04 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 0.0 109.218 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -130.81 47.36 2.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 69' ' ' THR . . . -94.08 -11.59 30.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.384 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.88 -43.38 54.71 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.467 ' CG ' ' N ' ' A' ' 76' ' ' LEU . 37.4 pttt -62.1 -51.96 65.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.467 ' N ' ' CG ' ' A' ' 75' ' ' LYS . 81.0 mt -44.82 -48.7 11.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.423 1.077 . . . . 0.0 109.332 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.83 -59.29 5.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.84 -36.62 65.23 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.552 1.157 . . . . 0.0 109.228 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 8.9 mt -63.46 -27.93 43.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.281 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -117.79 42.02 2.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.627 ' HA ' ' N ' ' A' ' 83' ' ' ALA . . . -134.61 166.06 32.03 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.546 ' HA ' ' CB ' ' A' ' 81' ' ' ALA . 18.0 Cg_endo -75.13 117.08 4.45 Favored 'Cis proline' 0 C--N 1.359 1.13 0 C-N-CA 121.008 -2.497 . . . . 0.0 110.941 0.109 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.627 ' N ' ' HA ' ' A' ' 81' ' ' ALA . . . -161.92 160.06 27.41 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.365 1.041 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -81.33 93.72 6.61 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 13.1 mm -101.05 158.72 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.343 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.574 ' CD2' ' HB ' ' A' ' 3' ' ' THR . 48.0 m-85 -148.01 155.84 41.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.6 148.52 42.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.55 ' HB3' ' CD2' ' A' ' 62' ' ' HIS . 10.0 tp -114.85 65.93 0.68 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.536 1.147 . . . . 0.0 109.356 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -69.18 75.49 0.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.299 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -159.41 130.1 5.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 93' ' ' ASP . . . -37.01 105.68 0.04 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.548 1.155 . . . . 0.0 110.947 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.433 ' C ' ' O ' ' A' ' 91' ' ' GLY . 3.3 tp -37.73 -32.93 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.44 0.729 . . . . 0.0 109.209 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 91' ' ' GLY . 1.5 m-20 -40.85 -30.83 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.344 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.428 ' N ' ' C ' ' A' ' 92' ' ' ILE . . . -45.41 -45.45 11.42 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.627 1.204 . . . . 0.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.606 ' CD1' ' HG3' ' A' ' 35' ' ' PRO . 37.6 t-105 -48.42 -70.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.2 tttt -55.15 -27.57 46.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.261 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -56.4 -18.15 10.22 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -106.39 22.93 14.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 59.07 45.16 95.67 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.451 1.094 . . . . 0.0 111.04 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.504 ' O ' ' CD1' ' A' ' 95' ' ' TRP . 1.2 mt -137.95 105.42 8.1 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.523 0.778 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 174.65 12.43 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.517 1.798 . . . . 0.0 111.013 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.468 ' CG2' ' HB3' ' A' ' 32' ' ' GLU . 20.7 m -81.04 -172.7 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.439 1.087 . . . . 0.0 109.374 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -83.46 77.02 9.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.574 1.171 . . . . 0.0 109.347 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.1 t -83.66 174.46 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.418 1.074 . . . . 0.0 109.356 179.989 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.563 ' CD1' ' N ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.368 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.568 ' HB ' ' CD1' ' A' ' 86' ' ' PHE . 3.9 m -89.82 169.37 11.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.373 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 85.1 m -111.3 172.62 6.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.364 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.471 ' CD1' ' HB3' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -172.65 177.6 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.516 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 0.6 OUTLIER 162.38 -51.4 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.927 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 6' ' ' SER . 18.3 Cg_endo -74.94 -163.35 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.447 1.762 . . . . 0.0 110.939 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.4 ' O ' ' N ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -44.4 -28.9 0.61 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.547 1.154 . . . . 0.0 109.575 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.471 ' HB3' ' CD1' ' A' ' 5' ' ' ILE . 0.8 OUTLIER -52.51 -32.43 40.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 0.0 109.363 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.57 -24.22 36.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.271 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 8' ' ' HIS . 13.4 tm0? -80.77 0.55 34.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.452 1.095 . . . . 0.0 110.264 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -97.81 -35.29 10.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.331 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.421 ' N ' HD21 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -74.98 -43.75 52.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 72.9 mt -62.5 -39.25 83.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.38 -7.0 56.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.329 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 40.1 mtt180 -98.27 -14.16 20.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.59 1.181 . . . . 0.0 110.308 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 103.03 30.76 5.32 Favored Glycine 0 CA--C 1.532 1.124 0 O-C-N 124.411 1.07 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.56 179.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 0.774 . . . . 0.0 109.356 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.78 97.33 3.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.0 tt -84.81 128.05 34.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.415 HG22 ' CE1' ' A' ' 61' ' ' PHE . 0.7 OUTLIER -105.76 126.91 61.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.365 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.402 ' CG ' ' SG ' ' A' ' 63' ' ' CYS . 0.2 OUTLIER -92.73 97.13 10.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.102 . . . . 0.0 109.316 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -94.61 39.65 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.577 1.173 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.29 -177.42 4.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 110.268 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -41.77 142.5 0.65 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.416 ' HB1' ' CG ' ' A' ' 39' ' ' LEU . . . -120.44 -78.84 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -83.5 -17.07 43.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.91 -38.01 75.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.319 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.465 ' O ' ' N ' ' A' ' 31' ' ' ARG . 0.4 OUTLIER -114.58 -40.8 3.52 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.437 1.086 . . . . 0.0 110.997 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.547 ' CD1' ' O ' ' A' ' 30' ' ' LEU . 0.2 OUTLIER 39.21 29.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.375 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 29' ' ' TYR . 42.4 mtt180 -99.64 -81.83 0.45 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 110.19 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -78.01 165.62 23.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.558 1.161 . . . . 0.0 110.21 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.443 ' HB3' ' CB ' ' A' ' 103' ' ' ALA . 2.8 t-160 -136.79 -144.89 0.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.595 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.472 HG21 ' CB ' ' A' ' 37' ' ' ALA . 0.1 OUTLIER -166.96 154.87 8.89 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 109.248 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.475 ' HG3' ' CE2' ' A' ' 95' ' ' TRP . 18.1 Cg_endo -75.09 107.51 2.5 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.509 1.794 . . . . 0.0 110.941 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 66.95 74.24 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.257 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.472 ' CB ' HG21 ' A' ' 34' ' ' ILE . . . -119.9 -173.18 2.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -177.7 108.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.416 ' CG ' ' HB1' ' A' ' 26' ' ' ALA . 4.0 mp -41.26 127.44 2.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.46 ' O ' ' CD1' ' A' ' 45' ' ' LEU . . . -175.09 77.49 0.31 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.419 1.074 . . . . 0.0 109.303 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 42' ' ' LEU . 18.0 Cg_endo -75.13 151.51 39.04 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.551 1.816 . . . . 0.0 111.032 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 46' ' ' GLU . 1.3 pp -38.71 -39.01 0.45 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.7 m -53.08 -54.3 37.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.026 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.419 ' N ' ' O ' ' A' ' 41' ' ' PRO . 98.8 t -72.22 -44.36 64.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.095 . . . . 0.0 109.242 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.46 ' CD1' ' O ' ' A' ' 40' ' ' ALA . 36.7 mt -60.06 -19.71 54.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 42' ' ' LEU . 2.9 mt-10 -92.62 -56.79 2.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 110.225 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -21.34 66.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.399 1.062 . . . . 0.0 110.274 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 49' ' ' GLY . 8.5 t -101.19 -48.61 4.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.599 1.187 . . . . 0.0 109.99 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.52 ' O ' ' C ' ' A' ' 50' ' ' LEU . . . 60.16 130.13 0.01 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.52 ' C ' ' O ' ' A' ' 49' ' ' GLY . 0.2 OUTLIER 31.24 82.52 0.21 Allowed Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.496 0.762 . . . . 0.0 109.334 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 135.03 18.73 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.474 1.776 . . . . 0.0 111.038 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.44 -18.15 55.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.17 -16.79 48.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.9 mt -136.23 42.06 2.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.575 1.172 . . . . 0.0 109.269 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.3 ttt-85 -98.38 149.67 22.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.24 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -168.78 -149.59 0.08 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 109.616 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -107.54 -50.84 3.0 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.567 ' HB3' ' CE2' ' A' ' 86' ' ' PHE . 13.4 mt-30 -128.23 106.05 8.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.165 . . . . 0.0 110.248 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.496 ' CD1' ' O ' ' A' ' 60' ' ' ILE . 0.7 OUTLIER -100.83 173.46 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.496 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 3.6 mm -118.19 146.03 23.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.421 ' CE2' HD23 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -136.73 99.74 4.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.997 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.608 ' CD2' ' O ' ' A' ' 88' ' ' LEU . 1.8 t-80 -178.75 -178.19 0.55 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.62 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.483 ' CB ' ' O ' ' A' ' 62' ' ' HIS . 0.8 OUTLIER 160.4 170.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.505 1.128 . . . . 0.0 108.301 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 65.2 -90.56 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.319 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 173.87 52.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 138.7 162.0 8.99 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.504 1.128 . . . . 0.0 111.03 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.43 ' O ' ' CB ' ' A' ' 68' ' ' ARG . 4.9 tptp -170.0 -43.74 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 0.775 . . . . 0.0 109.272 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.43 ' CB ' ' O ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER 78.85 43.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.359 -179.917 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.415 ' O ' ' N ' ' A' ' 73' ' ' ALA . 11.4 p -64.06 -19.39 65.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.347 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 41.9 t -57.1 -17.67 11.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.014 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -62.4 -63.58 1.19 Allowed 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 63.0 m-80 -126.25 44.79 2.78 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 69' ' ' THR . . . -56.65 -20.22 20.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.594 1.184 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.65 -62.6 1.7 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.432 1.082 . . . . 0.0 109.257 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.64 -30.13 54.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.269 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.421 HD23 ' CE2' ' A' ' 61' ' ' PHE . 28.5 mt -71.61 -40.04 70.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.466 ' HA ' ' CD1' ' A' ' 85' ' ' ILE . . . -78.9 0.94 25.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -110.13 -0.87 17.75 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -87.41 -44.94 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.399 1.062 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.425 ' O ' ' CB ' ' A' ' 83' ' ' ALA . . . -109.27 38.07 2.41 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.582 1.176 . . . . 0.0 109.229 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.59 ' HA ' ' N ' ' A' ' 83' ' ' ALA . . . -107.93 166.03 11.68 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.592 1.182 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.528 ' HA ' ' CB ' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -74.96 118.58 5.38 Favored 'Cis proline' 0 C--N 1.359 1.096 0 C-N-CA 121.0 -2.5 . . . . 0.0 110.986 -0.036 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.59 ' N ' ' HA ' ' A' ' 81' ' ' ALA . . . -163.47 164.69 24.35 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.329 1.018 . . . . 0.0 109.266 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -102.75 76.8 1.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.341 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.468 ' CG2' HG13 ' A' ' 59' ' ' ILE . 18.0 pt -79.2 139.74 17.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.395 1.06 . . . . 0.0 109.319 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.568 ' CD1' ' HB ' ' A' ' 3' ' ' THR . 13.1 m-85 -112.74 152.07 29.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.413 1.07 . . . . 0.0 110.977 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.35 147.16 43.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.445 1.09 . . . . 0.0 109.361 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.608 ' O ' ' CD2' ' A' ' 62' ' ' HIS . 0.3 OUTLIER -85.53 144.04 28.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -66.92 -160.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.105 . . . . 0.0 110.348 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -83.92 80.83 9.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 109.325 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 134.14 100.69 0.69 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 1.2 pp -74.53 -3.61 4.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.479 0.752 . . . . 0.0 109.34 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 97' ' ' LYS . 2.4 p30 -50.46 -22.65 2.0 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 93' ' ' ASP . . . -37.24 -35.83 0.19 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.555 1.159 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.576 ' CZ2' ' HB3' ' A' ' 100' ' ' LEU . 19.5 t-105 -68.73 -60.59 2.29 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.3 ttpp -60.67 -15.5 29.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 93' ' ' ASP . 35.3 tttt -61.67 -15.4 39.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.484 ' CB ' HD13 ' A' ' 100' ' ' LEU . . . -109.19 23.16 14.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 62.45 40.32 98.94 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.502 1.126 . . . . 0.0 110.955 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.576 ' HB3' ' CZ2' ' A' ' 95' ' ' TRP . 1.0 OUTLIER -140.0 100.55 7.19 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.49 0.759 . . . . 0.0 109.343 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.416 ' O ' ' NE1' ' A' ' 95' ' ' TRP . 18.3 Cg_endo -74.99 -177.05 3.2 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.522 1.801 . . . . 0.0 110.937 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 22.3 m -85.78 -169.81 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.443 ' CB ' ' HB3' ' A' ' 33' ' ' HIS . . . -87.39 101.78 13.9 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.4 t -92.56 -166.21 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.269 -179.933 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.491 ' C ' ' CD1' ' A' ' 2' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 87' ' ' LEU . 7.7 m -138.53 171.84 13.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.437 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 62.4 m -113.3 123.64 50.61 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.553 1.158 . . . . 0.0 110.408 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.404 ' CG2' ' HB3' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -123.49 144.72 32.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 109.271 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.7 m -67.12 139.76 95.41 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.964 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.09 0.41 8.98 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.534 1.807 . . . . 0.0 111.041 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -89.57 -32.69 17.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 109.616 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -101.87 -25.8 13.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.404 ' HB3' ' CG2' ' A' ' 5' ' ' ILE . . . -64.58 -26.98 68.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.344 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.6 tm0? -75.17 -2.42 27.71 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.541 1.15 . . . . 0.0 110.253 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -100.11 -47.78 4.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 110.245 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.484 HD12 ' CB ' ' A' ' 18' ' ' ALA . 3.6 pp -64.42 -37.05 86.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.373 1.045 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.474 ' HA ' ' CB ' ' A' ' 18' ' ' ALA . 9.1 mt -63.06 -49.52 83.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.17 -9.34 52.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.255 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -92.01 -22.61 19.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 110.36 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 162.12 -40.77 0.38 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.571 1.169 . . . . 0.0 111.029 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.484 ' CB ' HD12 ' A' ' 13' ' ' LEU . . . -43.44 143.68 0.87 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 0.805 . . . . 0.0 109.364 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.65 160.3 20.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.2 tt -114.71 158.77 21.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.155 . . . . 0.0 109.241 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.547 HG21 ' CD2' ' A' ' 61' ' ' PHE . 0.8 OUTLIER -137.32 127.04 37.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.452 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 0.0 OUTLIER -95.87 104.21 16.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 6.1 mt -90.77 41.11 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.132 . . . . 0.0 109.266 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -116.2 -173.57 2.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 110.281 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -42.47 158.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 0.0 109.303 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -109.8 -74.59 0.65 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -109.75 -8.33 14.94 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.418 1.074 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.01 -39.62 92.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.249 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.52 ' O ' ' C ' ' A' ' 30' ' ' LEU . 1.4 t80 -120.34 -45.27 2.44 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.517 1.135 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.52 ' C ' ' O ' ' A' ' 29' ' ' TYR . 2.9 tt 31.4 44.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 29' ' ' TYR . 3.9 mtt180 -95.26 -77.31 0.47 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 110.323 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -65.24 168.97 6.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 110.221 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -170.14 87.76 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.578 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.504 ' C ' ' H ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -44.28 156.73 0.32 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 109.217 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.566 ' HG3' ' CE2' ' A' ' 95' ' ' TRP . 17.9 Cg_endo -74.98 28.91 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.479 1.778 . . . . 0.0 110.943 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.504 ' H ' ' C ' ' A' ' 34' ' ' ILE . 1.4 mt-10 165.46 89.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 110.333 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -148.0 178.48 8.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.591 1.182 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.469 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 52.0 m-20 -159.32 104.26 1.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.245 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.441 ' C ' ' O ' ' A' ' 38' ' ' ASP . 4.1 tp -37.5 124.24 1.02 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.575 1.172 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -170.28 65.38 0.49 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.313 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.07 171.21 18.77 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.49 1.784 . . . . 0.0 110.997 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 46' ' ' GLU . 14.6 mt -46.9 -39.49 12.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.6 p -51.84 -56.27 14.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 109.898 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.51 ' O ' ' CB ' ' A' ' 48' ' ' SER . 96.0 t -73.46 -39.23 54.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 O-C-N 124.404 1.065 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.7 mt -63.3 -17.75 62.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.38 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 42' ' ' LEU . 1.3 mm-40 -102.88 -60.11 1.6 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.552 1.157 . . . . 0.0 110.259 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.12 -41.35 94.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.374 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 44' ' ' VAL . 0.3 OUTLIER -87.04 -53.93 4.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.98 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 50' ' ' LEU . . . 93.97 -171.17 31.14 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.519 1.137 . . . . 0.0 110.957 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 49' ' ' GLY . 6.4 tt -38.7 101.48 0.23 Allowed Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.49 0.759 . . . . 0.0 109.349 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 75.53 3.67 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.466 1.772 . . . . 0.0 110.992 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.78 -18.94 9.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.02 -28.82 69.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 109.271 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.469 ' CD1' ' HB3' ' A' ' 38' ' ' ASP . 0.4 OUTLIER -126.3 38.13 4.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.558 ' NH2' ' CD1' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -123.49 166.53 15.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 110.253 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -159.99 -161.63 0.91 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.628 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -52.74 -20.77 3.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 110.227 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -171.17 157.32 5.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.609 ' CD1' ' CD2' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -143.57 149.74 17.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.595 1.184 . . . . 0.0 109.261 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -142.1 128.71 19.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.413 1.071 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.609 ' CD2' ' CD1' ' A' ' 59' ' ' ILE . 0.8 OUTLIER -138.82 -171.34 3.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -173.22 151.19 2.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.626 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 21.3 p -49.39 172.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 108.266 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -54.54 -83.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.266 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -144.29 61.53 1.34 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -144.2 -138.86 3.41 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.421 1.076 . . . . 0.0 111.0 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.88 -166.57 2.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.422 0.719 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 66.34 78.84 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.362 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 81.1 m -119.77 -39.58 2.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.59 1.181 . . . . 0.0 110.41 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 47.4 t -67.69 -14.19 62.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 110.056 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -48.65 -43.02 36.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.346 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 -152.11 50.64 0.79 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.406 1.066 . . . . 0.0 109.258 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -84.3 -11.25 56.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -64.54 -52.94 55.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 109.362 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -50.7 -46.52 58.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 17.7 mt -67.62 -45.57 75.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 109.349 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -53.97 -20.76 6.69 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.462 1.101 . . . . 0.0 109.397 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -104.74 -30.55 9.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.21 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.435 ' N ' ' O ' ' A' ' 75' ' ' LYS . 0.3 OUTLIER -60.45 -16.07 11.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 109.361 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.43 ' O ' ' CB ' ' A' ' 83' ' ' ALA . . . -128.43 38.03 4.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.535 ' CB ' ' HA ' ' A' ' 82' ' ' PRO . . . -99.2 165.49 14.75 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.535 ' HA ' ' CB ' ' A' ' 81' ' ' ALA . 18.5 Cg_endo -74.96 0.83 16.13 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 120.953 -2.519 . . . . 0.0 111.03 -0.069 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 82' ' ' PRO . . . -36.99 145.65 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.564 1.165 . . . . 0.0 109.299 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -81.62 117.76 22.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.328 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.608 ' O ' ' CD1' ' A' ' 86' ' ' PHE . 7.9 mm -109.55 164.73 5.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.608 ' CD1' ' O ' ' A' ' 85' ' ' ILE . 10.2 m-85 -161.67 177.24 10.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 111.008 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 3' ' ' THR . 26.2 mt -119.7 153.79 35.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.247 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 89' ' ' GLU . 9.0 tt -118.65 107.56 13.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 88' ' ' LEU . 0.0 OUTLIER -38.96 111.83 0.2 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 0.0 110.403 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.426 ' HB3' ' CB ' ' A' ' 93' ' ' ASP . 39.1 m-20 64.27 139.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 109.356 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -81.08 -95.7 0.42 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.512 1.133 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 10.6 tp -50.8 -43.91 25.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.551 0.795 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.426 ' CB ' ' HB3' ' A' ' 90' ' ' ASP . 0.5 OUTLIER -55.68 -19.65 11.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.441 ' O ' ' CB ' ' A' ' 97' ' ' LYS . . . -61.99 -76.37 0.25 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.514 1.134 . . . . 0.0 111.025 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.589 ' CZ2' ' HB3' ' A' ' 100' ' ' LEU . 22.9 t-105 -60.67 -22.77 64.24 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.0 tttt -87.38 -0.06 56.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.441 ' CB ' ' O ' ' A' ' 94' ' ' GLY . 13.2 tptp -56.9 -19.72 19.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.559 ' CB ' ' CD1' ' A' ' 100' ' ' LEU . . . -125.65 28.61 6.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.271 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 56.75 40.2 88.54 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.534 1.146 . . . . 0.0 111.013 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.589 ' HB3' ' CZ2' ' A' ' 95' ' ' TRP . 0.3 OUTLIER -106.95 115.03 60.91 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.474 0.749 . . . . 0.0 109.351 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 152.69 40.74 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.526 1.803 . . . . 0.0 110.954 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 20.8 m -80.06 176.92 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -79.54 76.65 6.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.415 1.072 . . . . 0.0 109.277 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.536 ' CG1' ' N ' ' A' ' 105' ' ' ASN . 3.2 p -85.31 -145.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.536 ' N ' ' CG1' ' A' ' 104' ' ' VAL . 16.3 p30 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.464 ' CD2' HD11 ' A' ' 87' ' ' LEU . 6.0 mt -71.74 88.55 1.0 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 109.232 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.561 ' HB ' ' CE2' ' A' ' 86' ' ' PHE . 1.7 m -129.0 166.27 19.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.394 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.8 t -141.39 -170.06 3.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.555 1.159 . . . . 0.0 110.416 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.416 ' CD1' ' HB3' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -153.55 -170.44 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.424 1.077 . . . . 0.0 109.336 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.5 p -107.31 147.41 35.18 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.013 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.84 60.73 5.38 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.468 1.772 . . . . 0.0 111.031 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -163.29 -43.99 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.571 1.17 . . . . 0.0 109.582 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -91.44 -29.0 17.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.416 ' HB3' ' CD1' ' A' ' 5' ' ' ILE . . . -58.23 -21.03 46.37 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.437 1.086 . . . . 0.0 109.328 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 20.5 tm0? -79.11 -2.6 41.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.281 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -94.94 -35.65 11.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.586 1.178 . . . . 0.0 110.184 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.477 ' CD2' ' N ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -69.42 -49.66 53.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.426 1.079 . . . . 0.0 109.329 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 11.0 mt -59.95 -39.45 80.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.61 -3.92 46.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.1 mtp-105 -98.64 -20.87 16.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 110.274 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 130.83 42.41 0.2 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.603 1.189 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -111.67 131.27 55.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 0.785 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.23 134.89 35.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.254 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.473 ' HG ' ' CG2' ' A' ' 60' ' ' ILE . 6.1 tt -107.31 103.76 13.21 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.477 1.111 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.1 mp -86.05 115.53 27.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.236 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.459 ' OD1' ' N ' ' A' ' 22' ' ' ASP . 0.1 OUTLIER -91.17 106.49 18.55 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.407 HG21 ' CD1' ' A' ' 45' ' ' LEU . 5.0 pt -89.44 39.94 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.586 1.179 . . . . 0.0 109.253 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.643 ' NH1' ' CE1' ' A' ' 29' ' ' TYR . 3.1 ptp180 -116.88 -173.05 2.32 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.6 174.26 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.407 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 30' ' ' LEU . . . -120.66 -69.77 0.82 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.22 -39.97 74.79 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -59.27 -23.19 62.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 110.323 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.643 ' CE1' ' NH1' ' A' ' 24' ' ' ARG . 0.6 OUTLIER -118.64 0.82 11.59 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.502 1.126 . . . . 0.0 110.972 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 26' ' ' ALA . 2.4 tp -45.66 -25.99 0.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.6 1.188 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.423 ' N ' ' C ' ' A' ' 29' ' ' TYR . 2.8 mmp_? -54.15 -52.9 59.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.425 1.078 . . . . 0.0 110.301 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.562 ' HG3' ' CD1' ' A' ' 29' ' ' TYR . 1.1 pt-20 -116.84 152.54 34.22 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 0.0 110.34 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.552 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.2 OUTLIER -152.82 119.22 5.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.557 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -45.94 163.42 0.22 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.239 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.557 ' HG3' ' CE2' ' A' ' 95' ' ' TRP . 18.5 Cg_endo -74.95 47.57 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.486 1.782 . . . . 0.0 111.011 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.445 ' CB ' ' O ' ' A' ' 35' ' ' PRO . 2.9 mt-10 164.49 -86.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.276 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.438 ' O ' ' CG ' ' A' ' 38' ' ' ASP . . . 50.21 179.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.419 1.075 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 20' ' ' LEU . 53.7 m-20 -168.75 92.19 0.29 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.467 1.104 . . . . 0.0 109.245 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 38' ' ' ASP . 0.3 OUTLIER -38.21 119.5 0.8 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.481 ' O ' ' CD1' ' A' ' 45' ' ' LEU . . . -171.7 66.05 0.41 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.43 ' O ' ' N ' ' A' ' 44' ' ' VAL . 18.3 Cg_endo -74.97 163.6 35.06 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.441 1.758 . . . . 0.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 46' ' ' GLU . 0.9 OUTLIER -41.19 -39.02 1.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.349 179.878 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.404 ' N ' ' HG ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -55.27 -48.2 74.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.019 -179.929 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.507 ' O ' ' CB ' ' A' ' 48' ' ' SER . 74.4 t -78.24 -39.36 24.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.481 ' CD1' ' O ' ' A' ' 40' ' ' ALA . 9.5 mt -64.93 -17.45 64.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 42' ' ' LEU . 4.0 mt-10 -101.74 -59.05 1.77 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.458 1.099 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.57 -39.82 92.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.261 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.507 ' CB ' ' O ' ' A' ' 44' ' ' VAL . 0.3 OUTLIER -89.9 -54.58 3.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.99 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.34 -157.73 15.37 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.517 1.135 . . . . 0.0 111.032 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -46.13 141.05 4.8 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.508 0.769 . . . . 0.0 109.367 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 54' ' ' LEU . 18.5 Cg_endo -75.04 65.16 6.11 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.492 1.785 . . . . 0.0 110.991 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.48 -52.03 63.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.2 ptmt -54.57 -20.17 7.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.264 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 51' ' ' PRO . 0.3 OUTLIER -130.07 39.3 3.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.364 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.404 ' N ' ' O ' ' A' ' 51' ' ' PRO . 4.2 ttt-85 -114.19 137.63 51.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 110.319 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 25.9 t-80 -139.47 -95.55 0.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.567 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -119.91 -52.61 2.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.293 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -132.1 119.07 20.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 110.329 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.1 pt -111.39 146.73 15.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.591 1.182 . . . . 0.0 109.241 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.473 ' CG2' ' HG ' ' A' ' 20' ' ' LEU . 5.9 tt -102.7 163.73 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -146.04 97.14 2.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 111.0 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.504 ' O ' ' CB ' ' A' ' 63' ' ' CYS . 8.0 t60 -176.61 169.71 2.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.641 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 62' ' ' HIS . 0.8 OUTLIER 159.85 56.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 108.32 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -156.16 176.35 12.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.272 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -116.73 45.75 1.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 109.263 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 82.95 100.16 0.51 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.518 1.136 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -134.15 -78.12 0.46 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.496 0.762 . . . . 0.0 109.337 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.73 73.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.151 . . . . 0.0 110.363 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.7 m -89.55 -47.38 8.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.434 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.7 t -47.4 -25.4 1.03 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.946 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -45.16 -61.62 1.57 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 16.0 m-20 -128.15 48.93 2.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.09 . . . . 0.0 109.294 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -91.88 -5.85 52.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.535 1.147 . . . . 0.0 109.238 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 77' ' ' ALA . 0.0 OUTLIER -83.99 -77.93 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.422 1.076 . . . . 0.0 109.377 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.1 -26.79 0.81 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.453 1.096 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 9.8 mt -66.98 -44.43 80.43 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 74' ' ' ASP . . . -62.38 -25.45 67.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -89.05 -13.5 38.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.345 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 12.2 mt -82.53 -30.32 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.473 ' CB ' HD13 ' A' ' 85' ' ' ILE . . . -97.45 18.08 16.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.568 ' CB ' ' HA ' ' A' ' 82' ' ' PRO . . . -100.95 167.35 10.91 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.568 ' HA ' ' CB ' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -75.04 119.74 6.18 Favored 'Cis proline' 0 C--N 1.359 1.124 0 C-N-CA 120.99 -2.504 . . . . 0.0 111.015 0.033 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.562 ' N ' ' HA ' ' A' ' 81' ' ' ALA . . . -174.07 159.51 3.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -83.3 103.97 13.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 110.321 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.473 HD13 ' CB ' ' A' ' 80' ' ' ALA . 1.6 mm -97.41 148.31 5.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 109.356 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.561 ' CE2' ' HB ' ' A' ' 3' ' ' THR . 29.8 m-85 -145.18 162.16 37.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.135 . . . . 0.0 110.946 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.464 HD11 ' CD2' ' A' ' 2' ' ' LEU . 20.2 mt -113.97 158.48 21.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.481 ' HB3' ' CG ' ' A' ' 62' ' ' HIS . 0.4 OUTLIER -103.53 120.49 40.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 91' ' ' GLY . 0.6 OUTLIER -37.67 129.99 1.07 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 110.303 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 89' ' ' GLU . 4.0 m-20 -38.95 96.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 89' ' ' GLU . . . 157.53 106.27 0.23 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.5 ' O ' ' CD1' ' A' ' 92' ' ' ILE . 0.0 OUTLIER -62.6 -14.09 12.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.462 0.742 . . . . 0.0 109.335 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.51 ' O ' ' N ' ' A' ' 95' ' ' TRP . 4.0 m-20 -39.03 -93.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.252 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 42.86 -91.07 0.01 OUTLIER Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.57 ' CE3' HD12 ' A' ' 100' ' ' LEU . 6.8 t-105 -61.85 -33.52 74.33 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 16.8 tttt -86.29 -8.89 57.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.337 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.9 tptp -58.82 -22.64 59.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.487 ' CB ' HD11 ' A' ' 100' ' ' LEU . . . -108.01 23.56 14.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.266 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 55.95 49.54 66.31 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.607 1.192 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.57 HD12 ' CE3' ' A' ' 95' ' ' TRP . 0.3 OUTLIER -115.51 120.51 36.12 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.52 0.776 . . . . 0.0 109.311 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 149.96 37.36 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.385 1.729 . . . . 0.0 111.001 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.43 HG11 ' CD1' ' A' ' 95' ' ' TRP . 33.7 m -79.49 -177.0 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 109.255 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.552 ' O ' ' CD2' ' A' ' 33' ' ' HIS . . . -80.04 111.48 16.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.7 t -99.33 171.24 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 109.267 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -60.4 -16.38 35.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.376 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.57 103.79 4.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 8.7 t -92.36 -59.32 2.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 109.928 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 . . . . . 0 C--N 1.326 -0.424 0 O-C-N 124.443 1.09 . . . . 0.0 110.312 -179.978 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 3' ' ' THR . . . . . . . . 0 N--CA 1.452 -0.363 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.423 ' N ' HD22 ' A' ' 2' ' ' LEU . 1.2 mt -56.34 89.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.434 ' N ' ' O ' ' A' ' 1' ' ' ALA . 1.5 m -122.09 165.58 15.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.572 1.17 . . . . 0.0 110.432 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 87' ' ' LEU . 5.7 t -169.34 136.88 1.8 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.408 1.067 . . . . 0.0 110.487 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.451 HD13 ' CB ' ' A' ' 10' ' ' ALA . 27.6 pt -140.39 -171.92 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 O-C-N 124.455 1.097 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 m -104.61 158.66 31.52 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 110.006 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.482 ' CA ' HD21 ' A' ' 88' ' ' LEU . 18.0 Cg_endo -75.03 58.46 4.92 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.477 1.778 . . . . 0.0 110.956 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -129.76 -45.18 1.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 109.593 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.26 -20.83 13.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.462 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . . . -72.57 -28.07 62.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.7 tm0? -73.41 -2.82 23.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.341 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -96.27 -49.98 4.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.234 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.462 ' CD2' ' HA ' ' A' ' 10' ' ' ALA . 1.0 OUTLIER -64.3 -37.57 87.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.423 1.077 . . . . 0.0 109.229 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.506 ' HA ' ' CB ' ' A' ' 18' ' ' ALA . 5.6 mt -62.65 -47.31 93.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.88 -9.39 57.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.412 1.07 . . . . 0.0 109.252 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -91.51 -22.69 20.25 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 0.0 110.384 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 161.88 -40.03 0.39 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.506 ' CB ' ' HA ' ' A' ' 14' ' ' ILE . . . -42.65 117.09 0.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 0.776 . . . . 0.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.62 157.68 24.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.474 ' CD1' ' CG2' ' A' ' 60' ' ' ILE . 0.3 OUTLIER -113.76 126.04 54.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 25.1 mm -128.39 143.23 41.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -138.55 142.84 39.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.589 1.181 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.42 ' CG2' HD13 ' A' ' 45' ' ' LEU . 42.4 pt -96.24 41.82 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.476 ' CZ ' ' OE1' ' A' ' 28' ' ' GLU . 3.7 ptm180 -84.03 177.34 8.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -87.11 176.46 7.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.347 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 29' ' ' TYR . . . -92.86 -49.08 6.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.464 1.102 . . . . 0.0 109.35 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -50.28 -27.82 6.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.421 1.076 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.476 ' OE1' ' CZ ' ' A' ' 24' ' ' ARG . 0.6 OUTLIER -76.34 -29.89 57.43 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.562 ' O ' ' CD1' ' A' ' 29' ' ' TYR . 3.9 t80 -86.5 -4.04 59.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.8 tp -65.48 -33.19 75.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.44 -76.67 0.61 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.448 1.093 . . . . 0.0 110.278 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.82 173.23 12.8 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 110.273 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.466 ' HB3' ' CB ' ' A' ' 103' ' ' ALA . 0.7 OUTLIER -143.74 -139.29 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 109.575 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.515 HG22 ' CB ' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -157.95 163.72 23.7 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.35 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.6 ' HG3' ' CD1' ' A' ' 95' ' ' TRP . 18.2 Cg_endo -74.98 80.96 2.31 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.527 1.804 . . . . 0.0 110.931 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 65.49 105.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.515 ' CB ' HG22 ' A' ' 34' ' ' ILE . . . -169.56 -173.29 1.62 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -154.43 121.57 5.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.31 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.8 135.51 51.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 109.318 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.496 ' O ' ' CD1' ' A' ' 45' ' ' LEU . . . -171.3 87.09 0.47 Allowed Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.467 1.104 . . . . 0.0 109.309 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 42' ' ' LEU . 18.2 Cg_endo -75.03 152.0 40.09 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.483 1.781 . . . . 0.0 111.047 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 46' ' ' GLU . 0.6 OUTLIER -38.25 -38.3 0.34 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.596 1.185 . . . . 0.0 109.296 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.77 -62.1 1.87 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.627 1.204 . . . . 0.0 109.925 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 48' ' ' SER . 44.6 t -70.33 -37.33 70.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.496 ' CD1' ' O ' ' A' ' 40' ' ' ALA . 13.5 mt -64.6 -17.97 64.48 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.424 1.078 . . . . 0.0 109.264 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 42' ' ' LEU . 0.9 OUTLIER -96.53 -45.45 6.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 110.345 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.27 -23.42 57.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.581 1.176 . . . . 0.0 110.341 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 44' ' ' VAL . 2.2 t -102.51 -56.88 2.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.007 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.422 ' O ' ' N ' ' A' ' 51' ' ' PRO . . . 83.44 161.94 32.29 Favored Glycine 0 CA--C 1.528 0.869 0 O-C-N 124.511 1.132 . . . . 0.0 111.08 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 49' ' ' GLY . 1.0 OUTLIER -38.8 99.2 0.19 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.446 0.733 . . . . 0.0 109.31 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.422 ' N ' ' O ' ' A' ' 49' ' ' GLY . 18.5 Cg_endo -74.91 152.63 41.46 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.428 1.751 . . . . 0.0 111.049 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.69 -39.32 73.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.44 -23.85 17.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.346 1.029 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.3 mt -130.52 39.46 3.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 109.273 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 64.7 ttt180 -107.9 134.94 50.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.254 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -148.95 -164.24 1.98 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.458 1.099 . . . . 0.0 109.575 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -86.17 -32.92 20.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 110.293 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -142.51 113.16 7.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.412 1.07 . . . . 0.0 110.285 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.602 ' O ' ' CE1' ' A' ' 86' ' ' PHE . 1.8 pp -111.76 152.18 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.574 ' HB ' ' CE2' ' A' ' 86' ' ' PHE . 19.8 tt -110.87 163.01 7.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.407 ' N ' ' O ' ' A' ' 86' ' ' PHE . 1.1 m-85 -135.82 152.93 51.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -147.57 107.24 3.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.607 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -49.35 -71.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 108.282 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -162.42 -50.02 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 110.317 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -154.2 57.5 0.71 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.539 1.15 . . . . 0.0 109.351 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 53.87 174.19 0.07 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.489 1.118 . . . . 0.0 110.974 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? 66.78 157.63 0.12 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.478 0.752 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 58.84 35.35 24.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.428 ' C ' ' N ' ' A' ' 71' ' ' ASN . 69.8 p -101.14 -69.27 0.78 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 110.414 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.408 ' N ' ' OG1' ' A' ' 69' ' ' THR . 1.9 t -42.58 -27.77 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.049 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.428 ' N ' ' C ' ' A' ' 69' ' ' THR . 3.3 t-20 -45.77 -49.63 14.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.547 1.154 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -141.24 50.79 1.6 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.54 -21.44 38.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.24 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.24 -57.34 3.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.91 -50.61 14.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.329 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 70.3 mt -65.65 -42.45 91.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.583 1.177 . . . . 0.0 109.278 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.41 -11.91 47.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.538 1.148 . . . . 0.0 109.274 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -99.64 -15.58 18.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 2.0 mt -79.31 -14.19 13.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.43 1.081 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.478 ' CB ' HD12 ' A' ' 85' ' ' ILE . . . -136.87 45.21 2.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.412 1.07 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.533 ' CB ' ' HA ' ' A' ' 82' ' ' PRO . . . -103.89 165.02 14.18 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.453 1.095 . . . . 0.0 109.352 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.533 ' HA ' ' CB ' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -75.06 1.12 16.26 Favored 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 120.956 -2.518 . . . . 0.0 110.989 0.035 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 82' ' ' PRO . . . -37.36 147.98 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.431 1.082 . . . . 0.0 109.264 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -75.21 120.7 21.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.411 1.07 . . . . 0.0 110.254 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.478 HD12 ' CB ' ' A' ' 80' ' ' ALA . 2.7 mm -114.12 152.24 15.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.606 1.191 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.602 ' CE1' ' O ' ' A' ' 59' ' ' ILE . 30.7 p90 -175.28 156.88 2.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.57 1.169 . . . . 0.0 111.018 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.451 ' CD1' ' N ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -130.52 158.29 40.34 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.482 HD21 ' CA ' ' A' ' 7' ' ' PRO . 1.0 OUTLIER -98.73 117.15 32.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.568 1.167 . . . . 0.0 109.239 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -42.7 -70.21 0.11 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.472 1.107 . . . . 0.0 110.262 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -61.64 -60.92 2.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.243 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 65.3 -113.01 5.46 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.456 1.098 . . . . 0.0 111.018 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 11.5 mm -50.53 -50.44 21.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.489 0.758 . . . . 0.0 109.34 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.25 -37.97 70.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.533 1.146 . . . . 0.0 109.243 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -73.55 -48.44 17.93 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.465 1.103 . . . . 0.0 110.969 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.632 ' CD1' ' O ' ' A' ' 100' ' ' LEU . 57.2 t-105 -50.93 -44.09 60.19 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.2 tttm -75.72 -26.8 57.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.313 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 27.2 tttt -54.51 -20.02 6.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.454 ' HB2' ' CD1' ' A' ' 100' ' ' LEU . . . -109.99 24.14 13.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 53.38 43.16 65.61 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.46 1.1 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.632 ' O ' ' CD1' ' A' ' 95' ' ' TRP . 4.1 mt -122.06 103.37 39.56 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.533 0.784 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 179.63 5.91 Favored 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.422 1.748 . . . . 0.0 110.978 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 20.0 m -88.94 -166.33 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.62 1.2 . . . . 0.0 109.298 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.466 ' CB ' ' HB3' ' A' ' 33' ' ' HIS . . . -91.89 97.21 10.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.0 t -97.87 173.42 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.344 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -144.76 74.81 1.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.372 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.51 179.95 7.07 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.516 1.135 . . . . 0.0 109.368 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 24.4 m 55.33 169.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.399 1.062 . . . . 0.0 110.001 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 55.1 tp60 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 110.271 -179.893 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.7 mt -63.95 107.96 1.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.347 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.8 m -103.06 165.94 10.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.419 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.9 t -137.38 134.04 35.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 110.42 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.442 ' O ' ' CB ' ' A' ' 6' ' ' SER . 1.9 pp -148.2 -174.36 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.085 . . . . 0.0 109.279 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.494 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 0.6 OUTLIER 163.68 -52.34 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.466 1.104 . . . . 0.0 110.037 -179.925 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 6' ' ' SER . 18.1 Cg_endo -75.06 -162.22 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.432 1.754 . . . . 0.0 111.012 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -44.13 -30.81 0.82 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.465 1.103 . . . . 0.0 109.607 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -53.76 -39.64 65.52 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.422 1.076 . . . . 0.0 109.271 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.57 -26.72 60.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.423 1.077 . . . . 0.0 109.303 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -81.0 1.11 32.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.32 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -98.11 -51.28 4.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.188 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.473 HD12 ' CD1' ' A' ' 60' ' ' ILE . 3.3 pp -62.55 -32.86 73.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.105 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 69.4 mt -67.38 -47.66 80.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.61 -7.79 49.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.574 1.171 . . . . 0.0 109.285 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -90.32 -22.01 21.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 110.272 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.596 ' O ' ' CD2' ' A' ' 56' ' ' HIS . . . 131.26 -4.27 5.57 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.529 1.143 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.465 ' CB ' ' O ' ' A' ' 13' ' ' LEU . . . -56.9 155.56 7.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.576 0.809 . . . . 0.0 109.319 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.03 152.03 41.35 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.472 HD21 ' CB ' ' A' ' 37' ' ' ALA . 0.5 OUTLIER -126.02 149.03 49.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -122.83 152.51 27.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.443 ' HA ' ' CD2' ' A' ' 62' ' ' HIS . 2.5 t70 -115.39 114.51 25.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.5 pt -120.72 53.27 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.366 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.648 ' CZ ' ' CG ' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -126.07 179.55 5.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.305 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.441 ' O ' ' NE ' ' A' ' 24' ' ' ARG . 1.7 m-20 -40.83 146.23 0.16 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.542 1.151 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -115.87 -36.36 4.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.323 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -79.17 -30.71 43.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -83.45 -22.4 32.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.083 . . . . 0.0 110.294 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.648 ' CG ' ' CZ ' ' A' ' 24' ' ' ARG . 0.3 OUTLIER -110.88 -0.62 16.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 111.026 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 29' ' ' TYR . 0.9 OUTLIER -40.12 -32.65 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.413 ' N ' ' C ' ' A' ' 29' ' ' TYR . 5.0 mtp180 -79.1 -63.16 1.48 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 110.313 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.54 165.74 4.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.277 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.451 ' HB3' ' CB ' ' A' ' 103' ' ' ALA . 3.2 t-160 -135.31 -140.33 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.532 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.509 HG23 ' CB ' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -155.02 162.35 27.42 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.088 . . . . 0.0 109.278 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.59 ' HG3' ' CD1' ' A' ' 95' ' ' TRP . 18.2 Cg_endo -75.07 -47.01 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.439 1.757 . . . . 0.0 111.026 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -152.19 92.19 1.68 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 110.275 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.509 ' CB ' HG23 ' A' ' 34' ' ' ILE . . . 176.02 -176.72 0.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.366 1.041 . . . . 0.0 109.366 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.429 ' CB ' HD12 ' A' ' 54' ' ' LEU . 0.1 OUTLIER -159.17 130.25 6.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 179.917 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.468 ' CD1' ' HD3' ' A' ' 41' ' ' PRO . 12.3 tp -40.02 145.14 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 180.0 73.46 0.17 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 109.224 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.468 ' HD3' ' CD1' ' A' ' 39' ' ' LEU . 18.6 Cg_endo -75.04 160.9 39.48 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.516 1.798 . . . . 0.0 111.028 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.501 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -39.05 -34.76 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.573 1.17 . . . . 0.0 109.327 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.408 ' N ' ' HG ' ' A' ' 42' ' ' LEU . 38.8 p -57.14 -58.14 9.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 110.043 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 29.1 t -73.79 -32.66 35.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.113 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 15.8 mt -72.03 -14.39 61.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.501 ' CG ' ' O ' ' A' ' 42' ' ' LEU . 2.8 mm-40 -95.69 -45.19 7.12 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.51 1.131 . . . . 0.0 110.271 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -81.43 -28.03 34.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.209 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.68 -64.39 1.29 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.548 1.155 . . . . 0.0 110.04 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 51' ' ' PRO . . . 85.64 -170.02 43.63 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.456 1.097 . . . . 0.0 110.996 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 49' ' ' GLY . 13.9 tp -37.9 98.71 0.17 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.473 0.749 . . . . 0.0 109.26 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.441 ' N ' ' O ' ' A' ' 49' ' ' GLY . 18.3 Cg_endo -75.1 143.01 28.25 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.51 1.795 . . . . 0.0 110.95 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.38 -35.96 81.65 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.81 -19.88 60.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 0.0 109.253 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.429 HD12 ' CB ' ' A' ' 38' ' ' ASP . 1.6 mt -135.28 39.82 2.88 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.8 ttt85 -103.99 133.49 48.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.324 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 17' ' ' GLY . 3.0 t60 -142.87 -147.91 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.598 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -109.47 -16.71 13.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.276 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.3 109.08 1.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.205 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.457 ' CG1' HD12 ' A' ' 85' ' ' ILE . 1.0 OUTLIER -107.33 -175.17 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.473 ' CD1' HD12 ' A' ' 13' ' ' LEU . 7.7 mt -140.68 173.13 10.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 109.228 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.43 ' CE2' ' HB3' ' A' ' 76' ' ' LEU . 1.5 m-85 -136.69 134.14 36.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 111.055 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.443 ' CD2' ' HA ' ' A' ' 22' ' ' ASP . 0.0 OUTLIER -135.12 154.37 51.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.607 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -106.26 -169.61 1.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 108.256 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -66.57 -22.37 66.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 110.309 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -168.27 51.57 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 46.31 -163.5 0.13 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.465 1.103 . . . . 0.0 111.017 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.46 151.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 0.765 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 60.37 60.25 2.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.097 . . . . 0.0 110.312 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 92.0 m -119.14 -53.06 2.27 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.543 1.152 . . . . 0.0 110.44 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 28.0 t -55.16 -25.14 30.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.984 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -47.7 -50.13 25.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -144.04 54.25 1.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.243 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -83.63 -17.8 40.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.198 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.27 -55.1 5.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.601 1.188 . . . . 0.0 109.338 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.23 -42.12 39.47 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.43 ' HB3' ' CE2' ' A' ' 61' ' ' PHE . 83.1 mt -64.54 -43.58 93.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.118 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.59 -19.56 65.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.244 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -92.8 -9.5 40.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 109.364 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.5 mt -88.17 -29.6 5.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 109.293 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -115.34 38.48 3.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.142 . . . . 0.0 109.265 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.492 ' CB ' ' HA ' ' A' ' 82' ' ' PRO . . . -98.03 163.31 19.64 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.255 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.492 ' HA ' ' CB ' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -74.97 -0.94 17.38 Favored 'Cis proline' 0 C--N 1.361 1.185 0 C-N-CA 121.023 -2.491 . . . . 0.0 111.08 0.012 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -41.72 140.86 0.9 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.352 1.032 . . . . 0.0 109.276 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -76.6 127.31 32.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.364 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.457 HD12 ' CG1' ' A' ' 59' ' ' ILE . 7.4 mm -113.7 154.42 15.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.589 1.18 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -134.58 -179.11 5.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 111.084 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.3 mt -112.99 151.25 30.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.471 ' CD1' ' HA ' ' A' ' 6' ' ' SER . 51.9 tp -131.97 73.03 1.51 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -43.32 100.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 110.27 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 66.62 87.03 0.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.337 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 94' ' ' GLY . . . -73.53 -70.39 1.24 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.521 1.138 . . . . 0.0 111.073 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.6 tp -47.03 -38.8 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.462 0.742 . . . . 0.0 109.342 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.7 -31.11 46.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 91' ' ' GLY . . . -72.62 -30.47 64.1 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.501 1.126 . . . . 0.0 110.977 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.61 ' CD1' ' O ' ' A' ' 100' ' ' LEU . 32.1 t-105 -79.86 -39.08 31.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.04 0.35 45.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.259 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.98 -17.58 61.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -115.37 22.91 12.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 0.0 109.328 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 60.7 49.92 73.34 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.572 1.17 . . . . 0.0 111.022 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.61 ' O ' ' CD1' ' A' ' 95' ' ' TRP . 0.5 OUTLIER -133.48 99.25 14.51 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.506 0.768 . . . . 0.0 109.324 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 171.96 17.27 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.452 1.764 . . . . 0.0 111.056 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.401 ' HB ' ' C ' ' A' ' 33' ' ' HIS . 35.2 m -84.03 -174.0 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.451 ' CB ' ' HB3' ' A' ' 33' ' ' HIS . . . -82.22 101.51 10.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.254 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.0 t -96.65 179.69 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -47.33 -61.6 1.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.243 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.03 -75.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.604 1.19 . . . . 0.0 109.338 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 82.6 p -106.73 97.56 7.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.957 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 110.282 179.961 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.505 ' N ' ' H ' ' A' ' 85' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.24 69.25 6.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.574 ' HB ' ' CE2' ' A' ' 86' ' ' PHE . 1.8 m -111.27 166.22 11.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.415 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.459 ' CG2' ' HA ' ' A' ' 89' ' ' GLU . 22.6 m -148.87 137.07 20.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.583 1.177 . . . . 0.0 110.397 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.3 pp -148.16 172.28 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.093 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.1 m -76.46 152.39 83.49 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.608 1.192 . . . . 0.0 110.014 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.92 -19.87 17.63 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.517 1.799 . . . . 0.0 111.079 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.24 -30.63 71.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.588 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -103.24 -21.25 13.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.468 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . . . -69.11 -28.32 66.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.623 1.202 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.2 tm0? -76.09 -0.24 21.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.58 1.175 . . . . 0.0 110.261 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -98.57 -49.4 4.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.615 1.197 . . . . 0.0 110.242 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.468 ' CD2' ' HA ' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -64.4 -40.79 96.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.389 1.056 . . . . 0.0 109.332 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.478 ' CD1' ' CG2' ' A' ' 60' ' ' ILE . 9.3 mt -61.59 -44.94 99.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.419 1.074 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.2 -9.34 58.31 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.577 1.173 . . . . 0.0 109.235 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -91.25 -22.65 20.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.245 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.425 ' C ' ' CE1' ' A' ' 56' ' ' HIS . . . 156.51 -32.73 0.58 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.537 1.148 . . . . 0.0 111.027 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.429 ' CB ' ' HA ' ' A' ' 14' ' ' ILE . . . -46.19 121.59 3.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 0.752 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.91 160.84 21.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.277 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -117.17 152.82 33.96 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.499 HG23 ' CB ' ' A' ' 61' ' ' PHE . 0.8 OUTLIER -135.39 156.48 38.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.429 ' OD2' ' NH1' ' A' ' 24' ' ' ARG . 0.2 OUTLIER -119.14 121.72 40.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 109.348 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.463 ' CD1' ' HA ' ' A' ' 63' ' ' CYS . 7.6 pt -110.73 54.48 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.429 ' NH1' ' OD2' ' A' ' 22' ' ' ASP . 0.0 OUTLIER -138.33 -179.08 5.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.342 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.22 -175.62 0.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 30' ' ' LEU . . . -111.02 -35.62 5.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.081 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -47.99 -45.8 31.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.407 ' CD ' ' CD ' ' A' ' 24' ' ' ARG . 13.7 pt-20 -66.8 -29.08 68.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.446 1.092 . . . . 0.0 110.279 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -82.54 -23.22 34.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 111.051 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.465 ' CD1' ' C ' ' A' ' 30' ' ' LEU . 1.3 tm? -52.76 -39.23 62.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -94.44 -71.24 0.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.326 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -81.37 167.23 19.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 110.28 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.465 ' HB3' ' CB ' ' A' ' 103' ' ' ALA . 5.3 t-160 -132.24 -143.66 0.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.579 1.174 . . . . 0.0 109.595 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.537 ' CG2' ' CB ' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -158.41 163.86 23.05 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.587 ' HG3' ' CD1' ' A' ' 95' ' ' TRP . 18.1 Cg_endo -75.08 85.38 1.54 Allowed 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.619 1.852 . . . . 0.0 110.882 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 64.66 99.87 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.621 1.201 . . . . 0.0 110.268 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.537 ' CB ' ' CG2' ' A' ' 34' ' ' ILE . . . -175.42 -172.54 0.57 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.577 1.173 . . . . 0.0 109.257 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.457 ' CB ' HD11 ' A' ' 54' ' ' LEU . 0.2 OUTLIER -162.51 129.87 3.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.79 135.3 19.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -174.63 74.5 0.32 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 109.359 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.1 163.1 35.78 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.431 1.753 . . . . 0.0 110.923 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 46' ' ' GLU . 4.0 pp -40.59 -38.36 0.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.0 m -52.79 -61.66 2.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.989 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.418 ' O ' ' N ' ' A' ' 48' ' ' SER . 50.8 t -71.19 -35.14 57.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.2 mt -65.98 -17.71 64.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.207 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 42' ' ' LEU . 3.8 mt-10 -104.22 -46.53 4.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.13 -35.1 69.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 110.282 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 44' ' ' VAL . 3.7 t -98.32 -59.37 1.76 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 109.969 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 94.49 171.72 37.92 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.401 1.063 . . . . 0.0 111.048 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.459 HD22 ' CB ' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -49.58 105.9 0.56 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.493 0.76 . . . . 0.0 109.288 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.89 179.95 5.55 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.493 1.786 . . . . 0.0 111.021 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -102.3 -9.05 20.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -86.55 -15.28 40.44 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.601 1.188 . . . . 0.0 109.323 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.457 HD11 ' CB ' ' A' ' 38' ' ' ASP . 4.8 mt -135.94 41.61 2.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.5 ttt85 -100.05 154.48 18.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.266 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.425 ' CE1' ' C ' ' A' ' 17' ' ' GLY . 1.6 t-80 -173.03 -154.22 0.07 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.137 . . . . 0.0 109.633 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -95.07 -52.69 4.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.371 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -135.54 110.06 8.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.316 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.8 pt -93.1 139.77 17.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.478 ' CG2' ' CD1' ' A' ' 14' ' ' ILE . 8.0 tt -127.44 128.08 69.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.499 ' CB ' HG23 ' A' ' 21' ' ' ILE . 29.3 p90 -142.17 -169.53 2.96 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.547 1.155 . . . . 0.0 111.001 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.568 ' CE1' ' HB3' ' A' ' 88' ' ' LEU . 0.0 OUTLIER -146.33 164.49 32.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.607 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.463 ' HA ' ' CD1' ' A' ' 23' ' ' ILE . 0.1 OUTLIER -75.51 -68.7 0.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 108.224 -179.886 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.407 ' O ' ' CB ' ' A' ' 65' ' ' ALA . 1.7 tt0 -167.08 -68.41 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.462 1.101 . . . . 0.0 110.288 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.407 ' CB ' ' O ' ' A' ' 64' ' ' GLN . . . 169.64 82.57 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 177.77 176.24 45.62 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 43.5 tttm -76.25 71.82 2.98 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.466 0.745 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.53 80.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 110.323 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 40.6 p -119.01 -5.6 10.53 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.393 1.058 . . . . 0.0 110.417 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.413 ' C ' ' N ' ' A' ' 72' ' ' ASN . 0.6 OUTLIER -67.43 -52.29 41.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.572 1.17 . . . . 0.0 110.039 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 45.65 26.17 0.32 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.39 1.056 . . . . 0.0 109.28 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.413 ' N ' ' C ' ' A' ' 70' ' ' SER . 3.5 m-80 65.28 63.12 0.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.366 1.041 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -47.51 -33.21 6.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.193 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -49.11 -49.51 41.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 79' ' ' ILE . 0.4 OUTLIER -68.82 -48.46 63.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.546 1.154 . . . . 0.0 109.394 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 80' ' ' ALA . 97.0 mt -51.96 -42.48 62.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -53.81 -52.13 61.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.11 -29.48 65.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.234 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.421 ' N ' ' O ' ' A' ' 75' ' ' LYS . 0.1 OUTLIER -68.77 -36.02 72.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.919 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.502 ' CB ' ' CD1' ' A' ' 85' ' ' ILE . . . -110.73 40.28 2.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.34 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.496 ' CB ' ' HA ' ' A' ' 82' ' ' PRO . . . -99.02 163.49 18.63 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.496 ' HA ' ' CB ' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -75.0 -1.35 17.79 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.972 -2.512 . . . . 0.0 111.0 -0.021 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -49.91 157.29 0.62 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -92.67 150.56 20.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.247 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.6 ' O ' ' CD1' ' A' ' 86' ' ' PHE . 35.3 mm -120.33 166.04 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.087 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.6 ' CD1' ' O ' ' A' ' 85' ' ' ILE . 16.1 m-85 -161.43 170.0 20.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.1 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 37.1 mt -120.69 157.54 29.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.568 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -96.33 37.44 1.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.459 ' HA ' ' CG2' ' A' ' 4' ' ' THR . 4.3 tt0 81.7 -72.35 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 110.246 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.428 ' CB ' ' O ' ' A' ' 89' ' ' GLU . 0.8 OUTLIER 160.34 121.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 86.14 104.55 0.75 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.434 1.084 . . . . 0.0 111.003 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.471 ' CG2' ' HB3' ' A' ' 62' ' ' HIS . 1.9 pp -56.94 -24.66 20.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.507 0.769 . . . . 0.0 109.394 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 97' ' ' LYS . 0.5 OUTLIER -41.21 -29.84 0.14 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.093 . . . . 0.0 109.304 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.417 ' N ' ' C ' ' A' ' 92' ' ' ILE . . . -48.99 -33.76 14.36 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.348 1.03 . . . . 0.0 110.971 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.611 ' CD1' ' O ' ' A' ' 100' ' ' LEU . 36.4 t-105 -63.52 -65.07 0.73 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.2 ptmm? -61.24 -17.49 53.61 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.443 1.089 . . . . 0.0 109.269 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 93' ' ' ASP . 9.5 tmtt? -63.6 -13.29 40.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.439 ' HB1' ' CD1' ' A' ' 100' ' ' LEU . . . -112.13 23.62 13.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.416 1.073 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 62.46 41.0 99.81 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.54 1.15 . . . . 0.0 110.906 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.611 ' O ' ' CD1' ' A' ' 95' ' ' TRP . 1.8 mt -136.27 98.62 11.29 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.441 0.73 . . . . 0.0 109.257 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -176.09 2.7 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.478 1.778 . . . . 0.0 110.952 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 17.7 m -90.53 -177.43 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.465 ' CB ' ' HB3' ' A' ' 33' ' ' HIS . . . -82.93 104.87 13.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.409 1.068 . . . . 0.0 109.242 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -102.3 178.82 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.585 1.178 . . . . 0.0 109.222 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 22.3 m-20 -59.41 118.67 6.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 109.279 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -49.72 175.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 26.8 p -94.79 129.4 41.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 109.967 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 -179.96 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.423 ' CD2' ' HB1' ' A' ' 73' ' ' ALA . 0.1 OUTLIER -80.53 109.61 15.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.8 m -130.15 166.15 20.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 110.436 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.8 t -143.05 139.84 30.7 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.507 1.129 . . . . 0.0 110.44 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.2 pt -148.01 -176.51 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.428 1.08 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.42 161.63 78.15 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.547 1.154 . . . . 0.0 109.988 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.424 ' O ' ' N ' ' A' ' 11' ' ' GLN . 18.7 Cg_endo -74.89 -40.92 0.79 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.504 1.792 . . . . 0.0 111.064 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -54.16 -50.12 67.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.554 1.159 . . . . 0.0 109.621 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.99 -44.75 68.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.567 1.167 . . . . 0.0 109.328 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.39 -25.96 64.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.224 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 7' ' ' PRO . 13.0 tp60 -72.49 -4.44 30.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 110.361 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -96.65 -31.73 12.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.18 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.438 HD22 ' N ' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -74.7 -49.87 19.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.152 . . . . 0.0 109.376 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.46 ' HA ' ' CB ' ' A' ' 18' ' ' ALA . 6.2 mt -61.56 -39.75 84.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.29 -4.42 39.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.599 1.187 . . . . 0.0 109.382 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -98.09 -19.38 17.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 110.336 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 152.44 -31.08 0.86 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.509 1.131 . . . . 0.0 111.004 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.46 ' CB ' ' HA ' ' A' ' 14' ' ' ILE . . . -46.43 139.73 4.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 109.341 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.469 ' HD3' ' CD2' ' A' ' 54' ' ' LEU . 0.2 OUTLIER -92.51 157.73 16.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.085 . . . . 0.0 109.249 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -128.43 123.52 33.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.2 mp -114.18 150.1 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.456 ' OD1' ' NE2' ' A' ' 62' ' ' HIS . 1.4 t0 -128.13 114.74 17.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.259 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.2 pt -89.77 42.57 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.532 ' HD3' ' CG ' ' A' ' 29' ' ' TYR . 4.5 ptp180 -98.16 -177.03 3.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.264 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.24 -171.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 109.273 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -106.13 -98.92 0.34 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.419 ' HA ' ' CB ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -68.4 -27.22 66.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -57.08 -40.84 77.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 110.318 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.532 ' CG ' ' HD3' ' A' ' 24' ' ' ARG . 0.4 OUTLIER -107.63 1.02 22.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 111.015 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.419 ' CB ' ' HA ' ' A' ' 27' ' ' ASP . 2.1 tp -44.31 -25.61 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.49 ' O ' ' CG2' ' A' ' 104' ' ' VAL . 0.1 OUTLIER -44.55 -50.27 9.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.329 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -96.94 147.26 24.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 110.29 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.47 ' O ' ' O ' ' A' ' 34' ' ' ILE . 9.2 t60 -119.06 -13.02 9.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.578 1.174 . . . . 0.0 109.566 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.497 HG23 ' CB ' ' A' ' 37' ' ' ALA . 0.0 OUTLIER 56.9 156.24 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.521 ' HG3' ' CE2' ' A' ' 95' ' ' TRP . 18.3 Cg_endo -75.13 96.37 1.02 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.557 1.819 . . . . 0.0 110.965 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.417 ' HB3' ' O ' ' A' ' 35' ' ' PRO . 30.7 tt0 68.08 91.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.216 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.497 ' CB ' HG23 ' A' ' 34' ' ' ILE . . . -134.47 -174.71 3.65 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 39' ' ' LEU . 0.4 OUTLIER -167.47 102.22 0.5 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 38' ' ' ASP . 0.2 OUTLIER -39.57 135.78 1.09 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -177.68 81.61 0.24 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.087 . . . . 0.0 109.322 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 42' ' ' LEU . 18.2 Cg_endo -75.07 148.38 34.95 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.43 1.753 . . . . 0.0 110.968 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 46' ' ' GLU . 0.9 OUTLIER -39.05 -41.06 0.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.095 . . . . 0.0 109.341 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -50.58 -60.76 2.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.978 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.503 ' O ' ' CB ' ' A' ' 48' ' ' SER . 57.8 t -69.68 -41.43 80.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.1 mt -57.95 -24.16 56.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 42' ' ' LEU . 2.5 mt-10 -95.62 -58.87 2.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.322 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.78 -24.62 62.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 110.28 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 44' ' ' VAL . 1.6 t -101.58 -48.49 4.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.564 1.165 . . . . 0.0 110.016 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 51' ' ' PRO . . . 85.9 177.46 50.12 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.552 1.158 . . . . 0.0 111.014 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 49' ' ' GLY . 1.7 tp -37.52 98.21 0.15 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.616 0.833 . . . . 0.0 109.309 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.447 ' N ' ' O ' ' A' ' 49' ' ' GLY . 18.2 Cg_endo -74.93 142.94 28.71 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.429 1.752 . . . . 0.0 110.967 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.94 -45.42 70.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.269 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.2 pttt -50.12 -23.34 2.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.419 1.074 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.469 ' CD2' ' HD3' ' A' ' 19' ' ' LYS . 2.5 mt -127.9 39.2 3.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 -111.35 131.03 55.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -159.59 -151.73 0.28 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.437 1.085 . . . . 0.0 109.635 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.78 -54.76 4.86 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.144 . . . . 0.0 110.324 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.514 ' HB3' ' CE2' ' A' ' 86' ' ' PHE . 1.8 mt-30 -135.34 119.06 17.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.603 1.189 . . . . 0.0 110.255 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.403 ' CD1' HG23 ' A' ' 85' ' ' ILE . 1.1 pt -100.33 179.0 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 109.263 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 21.5 mm -134.39 155.5 39.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.095 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -140.21 142.75 35.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 110.98 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.558 ' CE1' ' O ' ' A' ' 63' ' ' CYS . 0.0 OUTLIER -142.22 136.72 30.15 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 109.572 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.558 ' O ' ' CE1' ' A' ' 62' ' ' HIS . 0.1 OUTLIER -89.54 178.87 6.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 108.331 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -41.79 -59.61 1.63 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 110.278 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -141.38 59.32 1.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.253 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 41.89 -161.45 0.03 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.535 1.147 . . . . 0.0 111.015 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.15 61.35 2.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 0.787 . . . . 0.0 109.329 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.43 56.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.467 1.105 . . . . 0.0 110.274 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.9 p -120.35 -56.51 1.98 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.391 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 38.0 t -47.94 -32.25 6.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.974 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -47.03 -45.56 21.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -155.33 60.35 0.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.423 ' HB1' ' CD2' ' A' ' 2' ' ' LEU . . . -72.62 -34.81 67.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.71 -53.5 57.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.254 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.3 mmtm -51.22 -45.12 61.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 79.1 mt -61.7 -42.21 98.64 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -75.28 -5.03 42.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -117.92 11.95 13.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 2.9 mt -101.69 -34.07 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.413 ' HB3' ' CD1' ' A' ' 85' ' ' ILE . . . -123.85 48.71 1.84 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.499 ' CB ' ' HA ' ' A' ' 82' ' ' PRO . . . -102.88 163.63 17.18 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.499 ' HA ' ' CB ' ' A' ' 81' ' ' ALA . 18.1 Cg_endo -75.06 -0.64 17.48 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 120.978 -2.509 . . . . 0.0 110.957 0.057 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -41.42 159.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -88.56 153.7 20.93 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.597 1.185 . . . . 0.0 110.254 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.566 ' O ' ' CD1' ' A' ' 86' ' ' PHE . 5.8 mt -144.59 154.56 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.566 ' CD1' ' O ' ' A' ' 85' ' ' ILE . 21.9 m-85 -145.29 147.04 31.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 111.064 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 19.5 mt -82.67 159.11 22.71 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.4 1.063 . . . . 0.0 109.323 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -122.51 91.34 3.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.596 1.185 . . . . 0.0 109.353 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -39.78 112.45 0.26 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.427 1.08 . . . . 0.0 110.298 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 60.8 116.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -75.04 -98.33 0.11 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.512 1.132 . . . . 0.0 110.932 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 10.9 mm -54.36 -55.09 16.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.485 0.756 . . . . 0.0 109.29 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.41 -26.77 8.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -75.98 -49.88 8.26 Favored Glycine 0 CA--C 1.529 0.914 0 O-C-N 124.563 1.164 . . . . 0.0 111.061 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.521 ' CE2' ' HG3' ' A' ' 35' ' ' PRO . 46.7 t-105 -67.89 -37.75 82.16 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.14 0.5 44.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.573 1.171 . . . . 0.0 109.279 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -14.43 42.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.429 ' CB ' HD11 ' A' ' 100' ' ' LEU . . . -126.92 27.35 6.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.455 1.097 . . . . 0.0 109.341 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 55.52 44.96 85.64 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.47 1.106 . . . . 0.0 110.995 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.431 ' HB3' ' CZ2' ' A' ' 95' ' ' TRP . 2.6 mt -111.0 111.82 55.99 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.452 0.736 . . . . 0.0 109.367 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 160.75 39.81 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.456 1.766 . . . . 0.0 110.986 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.412 ' HB ' ' HA ' ' A' ' 34' ' ' ILE . 18.7 m -91.37 -163.36 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.47 ' CB ' ' HB3' ' A' ' 33' ' ' HIS . . . -96.99 73.4 2.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.541 ' CG1' ' N ' ' A' ' 105' ' ' ASN . 4.2 p -83.91 -143.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.59 1.181 . . . . 0.0 109.263 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.541 ' N ' ' CG1' ' A' ' 104' ' ' VAL . 4.3 m-20 -140.91 99.84 3.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -76.15 106.26 7.66 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.428 1.08 . . . . 0.0 109.345 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 27.9 p -125.71 83.56 2.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.01 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.338 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.472 ' CD2' ' HB2' ' A' ' 77' ' ' ALA . 5.4 mt -65.49 -98.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.612 1.195 . . . . 0.0 109.297 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.682 ' CG2' ' CE2' ' A' ' 86' ' ' PHE . 13.4 m -146.6 171.02 15.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.378 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.4 m -140.56 166.08 25.7 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 0.0 110.493 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.3 tt -173.0 171.48 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -110.05 152.52 43.13 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.012 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 82.66 1.96 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.505 1.792 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -167.76 -51.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.582 1.176 . . . . 0.0 109.598 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.92 -26.58 15.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.468 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . . . -61.26 -24.14 66.16 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.447 1.092 . . . . 0.0 109.247 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -77.05 -0.39 24.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.243 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -101.11 -48.19 4.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.354 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.468 ' CD2' ' HA ' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -66.95 -34.81 78.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.265 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.514 ' HA ' ' CB ' ' A' ' 18' ' ' ALA . 49.7 mt -65.95 -46.97 86.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.38 -6.61 44.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.218 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.3 mtp-105 -95.21 -21.98 18.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 165.36 -44.15 0.29 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.492 1.12 . . . . 0.0 110.965 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.514 ' CB ' ' HA ' ' A' ' 14' ' ' ILE . . . -43.44 125.97 4.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 0.0 109.28 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.95 152.78 18.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.449 HD12 ' CG2' ' A' ' 60' ' ' ILE . 0.5 OUTLIER -119.16 118.42 31.31 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.445 1.091 . . . . 0.0 109.293 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.5 mp -103.43 146.29 11.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.322 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.85 108.99 17.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.8 pt -105.19 49.83 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.1 ptt180 -117.48 -176.0 2.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.43 1.081 . . . . 0.0 110.301 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.02 151.02 19.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' A' ' 29' ' ' TYR . . . -77.53 -44.21 29.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.267 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -52.28 -28.39 18.73 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 109.374 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -73.05 -26.97 61.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.28 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.404 ' N ' ' O ' ' A' ' 26' ' ' ALA . 34.9 t80 -91.09 -19.03 23.58 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 tp -50.35 -40.53 49.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.2 mtm180 -101.56 -73.4 0.65 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -57.9 155.75 10.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.444 1.09 . . . . 0.0 110.304 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.466 ' O ' ' C ' ' A' ' 34' ' ' ILE . 2.8 t60 -164.86 85.14 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.568 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.5 ' C ' ' H ' ' A' ' 36' ' ' GLU . 52.6 mt -35.98 145.64 0.22 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.545 1.153 . . . . 0.0 109.262 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.594 ' HG3' ' CE2' ' A' ' 95' ' ' TRP . 18.2 Cg_endo -75.0 27.67 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.47 1.774 . . . . 0.0 110.949 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.5 ' H ' ' C ' ' A' ' 34' ' ' ILE . 2.6 tt0 173.12 76.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.276 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -163.43 176.02 10.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -162.25 120.03 2.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.455 ' CD1' ' HD3' ' A' ' 41' ' ' PRO . 0.2 OUTLIER -47.18 138.04 7.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 173.33 79.54 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.455 ' HD3' ' CD1' ' A' ' 39' ' ' LEU . 18.1 Cg_endo -75.04 151.71 39.69 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.55 1.816 . . . . 0.0 110.961 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 46' ' ' GLU . 0.8 OUTLIER -41.45 -40.19 1.71 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.373 1.046 . . . . 0.0 109.278 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.408 ' N ' ' HG ' ' A' ' 42' ' ' LEU . 2.7 m -51.65 -56.55 13.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 110.031 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.488 ' O ' ' CB ' ' A' ' 48' ' ' SER . 61.8 t -72.08 -43.7 66.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.5 mt -58.7 -21.09 53.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.356 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 42' ' ' LEU . 2.3 mt-10 -86.18 -63.89 1.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.282 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.94 -19.79 63.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.412 1.07 . . . . 0.0 110.26 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 44' ' ' VAL . 8.4 t -100.68 -44.77 5.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.981 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 51' ' ' PRO . . . 84.1 146.04 7.17 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.432 1.082 . . . . 0.0 111.035 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 49' ' ' GLY . 4.6 tp -37.84 98.72 0.17 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.536 0.786 . . . . 0.0 109.287 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.441 ' N ' ' O ' ' A' ' 49' ' ' GLY . 18.2 Cg_endo -75.03 158.67 41.97 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.484 1.781 . . . . 0.0 111.066 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.54 -36.8 71.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.297 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.01 -22.32 10.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.7 mt -131.43 39.87 3.47 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.556 1.16 . . . . 0.0 109.249 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.6 ttt180 -115.06 134.45 55.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 110.407 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -150.43 -165.57 2.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.589 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -81.39 -51.73 8.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.417 1.073 . . . . 0.0 110.312 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -141.51 91.45 2.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -86.73 172.51 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.449 ' CG2' HD12 ' A' ' 20' ' ' LEU . 10.7 tt -120.36 169.73 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -140.14 160.71 39.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.4 1.062 . . . . 0.0 110.979 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -172.93 152.39 2.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.59 1.181 . . . . 0.0 109.605 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 20.2 p -106.53 -157.27 0.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 108.273 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -41.05 -52.65 3.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.31 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -163.92 58.83 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 37.95 92.13 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 110.964 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.79 68.15 1.5 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.412 0.713 . . . . 0.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 73.07 99.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 48.7 p -115.76 -35.23 4.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 110.464 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.0 t -56.73 -19.35 16.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.972 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -52.9 -45.94 67.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -146.15 55.22 1.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.348 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -88.36 -30.56 19.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.75 -36.63 26.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.51 -37.8 85.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 82.6 mt -61.45 -43.92 98.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.347 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.472 ' HB2' ' CD2' ' A' ' 2' ' ' LEU . . . -55.26 -50.38 69.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.18 -26.81 66.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.226 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -72.47 -32.55 42.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.317 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.45 ' HB2' ' CD1' ' A' ' 85' ' ' ILE . . . -124.19 48.78 1.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.501 ' CB ' ' HA ' ' A' ' 82' ' ' PRO . . . -105.84 163.48 16.98 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.501 ' HA ' ' CB ' ' A' ' 81' ' ' ALA . 17.9 Cg_endo -75.09 -4.68 21.02 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 120.95 -2.521 . . . . 0.0 111.001 0.131 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -41.79 139.8 1.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.397 1.06 . . . . 0.0 109.234 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -77.16 136.99 38.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 110.274 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.469 ' HB ' ' CD1' ' A' ' 2' ' ' LEU . 10.9 mm -118.41 156.31 20.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.633 1.208 . . . . 0.0 109.256 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.682 ' CE2' ' CG2' ' A' ' 3' ' ' THR . 6.2 m-85 -135.85 166.83 22.39 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.467 1.104 . . . . 0.0 110.98 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.6 mt -115.57 150.5 36.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.24 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 89' ' ' GLU . 12.5 tp -121.08 115.78 23.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 88' ' ' LEU . 0.5 OUTLIER -38.15 -40.62 0.52 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.455 ' CB ' ' HB3' ' A' ' 93' ' ' ASP . 1.1 m-20 -157.79 134.34 9.73 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.495 1.122 . . . . 0.0 109.225 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -80.92 -83.25 0.76 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.478 1.111 . . . . 0.0 110.929 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 6.5 mm -55.17 -43.18 69.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.463 0.743 . . . . 0.0 109.287 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.455 ' HB3' ' CB ' ' A' ' 90' ' ' ASP . 0.8 OUTLIER -63.73 -12.93 39.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 109.27 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.453 ' O ' ' CB ' ' A' ' 97' ' ' LYS . . . -81.78 -55.73 3.1 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.615 1.197 . . . . 0.0 111.033 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.594 ' CE2' ' HG3' ' A' ' 35' ' ' PRO . 29.5 t-105 -65.62 -39.97 92.07 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.451 ' CG ' ' HA ' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -78.29 0.11 26.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.336 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.453 ' CB ' ' O ' ' A' ' 94' ' ' GLY . 3.2 tptm -62.43 -21.21 65.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.532 ' CB ' ' CD1' ' A' ' 100' ' ' LEU . . . -120.49 28.48 7.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.597 1.185 . . . . 0.0 109.236 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 61.33 35.54 91.11 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.578 1.174 . . . . 0.0 110.988 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.59 ' HB3' ' CZ2' ' A' ' 95' ' ' TRP . 0.2 OUTLIER -108.72 110.05 61.25 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.449 0.735 . . . . 0.0 109.349 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.429 ' O ' ' NE1' ' A' ' 95' ' ' TRP . 18.4 Cg_endo -74.94 156.01 43.26 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.475 1.776 . . . . 0.0 111.013 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 17.0 m -76.4 -179.08 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.595 1.185 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -79.37 79.26 5.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.6 t -91.16 170.14 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.434 1.083 . . . . 0.0 109.345 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -66.04 106.89 1.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.375 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.39 -62.32 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 10.9 p -153.07 100.28 2.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.61 1.194 . . . . 0.0 109.979 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.9 pp0? . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 110.312 179.934 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.19 101.42 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.55 1.156 . . . . 0.0 109.368 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.569 ' HB ' ' CE2' ' A' ' 86' ' ' PHE . 1.6 m -127.78 165.33 20.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.37 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.418 ' CG2' ' HB3' ' A' ' 89' ' ' GLU . 1.8 m -124.2 153.29 41.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.419 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.3 pp -154.5 -172.6 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.591 1.182 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -97.31 152.87 38.49 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.077 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.477 ' CB ' ' HA3' ' A' ' 94' ' ' GLY . 18.0 Cg_endo -74.98 -51.49 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.465 1.771 . . . . 0.0 110.937 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -47.76 -32.86 6.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.415 1.072 . . . . 0.0 109.611 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.8 -34.17 21.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 109.369 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.465 ' O ' ' CD1' ' A' ' 14' ' ' ILE . . . -62.04 -27.87 69.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.195 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.5 tm0? -76.42 -0.3 22.31 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.601 1.188 . . . . 0.0 110.325 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -104.79 -32.49 8.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.374 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.403 ' CD2' ' N ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -76.76 -44.32 33.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.15 . . . . 0.0 109.29 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.465 ' CD1' ' O ' ' A' ' 10' ' ' ALA . 6.0 mt -64.2 -38.5 82.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.79 -7.88 58.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.415 1.072 . . . . 0.0 109.238 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.12 -22.78 18.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 110.263 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.601 ' O ' ' CE1' ' A' ' 56' ' ' HIS . . . 151.52 -23.5 0.95 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.23 146.86 22.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 0.753 . . . . 0.0 109.305 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.43 ' CD ' HD22 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -111.91 161.38 16.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.423 ' CD1' ' HB ' ' A' ' 60' ' ' ILE . 0.5 OUTLIER -126.57 152.57 46.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 109.255 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.515 ' O ' ' CD1' ' A' ' 61' ' ' PHE . 16.9 mm -139.78 115.86 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.429 1.081 . . . . 0.0 109.353 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.6 147.55 23.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.1 pp -106.67 46.21 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.4 ptp180 -105.7 -174.3 2.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 110.353 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -76.59 -173.97 2.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.133 . . . . 0.0 109.326 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 29' ' ' TYR . . . -91.73 -61.33 1.66 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -42.11 -45.75 4.08 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.409 ' O ' ' O ' ' A' ' 32' ' ' GLU . 1.6 mt-10 -51.88 -42.95 63.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.356 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.443 ' N ' ' O ' ' A' ' 26' ' ' ALA . 9.7 t80 -78.35 -24.13 46.6 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.449 1.093 . . . . 0.0 111.023 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.7 tt -44.41 -31.35 1.04 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.231 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.44 -86.78 0.62 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 110.224 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.409 ' O ' ' O ' ' A' ' 28' ' ' GLU . 1.7 pm0 -92.86 155.03 17.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.299 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.569 ' CE1' ' HB3' ' A' ' 103' ' ' ALA . 1.9 p80 -156.0 -104.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 109.523 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.523 ' CG2' ' CB ' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -149.43 163.63 24.31 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.239 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.553 ' HG3' ' CE2' ' A' ' 95' ' ' TRP . 18.4 Cg_endo -75.0 93.13 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.54 1.811 . . . . 0.0 111.034 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.43 ' CB ' ' O ' ' A' ' 35' ' ' PRO . 27.1 tt0 80.97 76.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.252 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.523 ' CB ' ' CG2' ' A' ' 34' ' ' ILE . . . -171.17 169.15 6.56 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.533 1.146 . . . . 0.0 109.205 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -147.83 123.44 10.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.447 ' CD1' ' N ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -41.43 137.35 1.52 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.432 ' CB ' ' CG2' ' A' ' 21' ' ' ILE . . . -163.89 78.35 1.58 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 42' ' ' LEU . 18.3 Cg_endo -75.14 162.01 37.45 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.411 1.742 . . . . 0.0 111.007 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.503 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 2.0 pp -38.21 -36.09 0.2 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.587 1.179 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.9 -58.72 6.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.62 1.2 . . . . 0.0 110.021 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.511 ' O ' ' CB ' ' A' ' 48' ' ' SER . 0.9 OUTLIER -72.09 -41.06 67.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 39.2 mt -63.99 -14.0 50.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.334 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' A' ' 42' ' ' LEU . 3.4 mm-40 -99.71 -63.01 1.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.607 1.192 . . . . 0.0 110.337 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -42.55 85.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.339 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.511 ' CB ' ' O ' ' A' ' 44' ' ' VAL . 0.8 OUTLIER -82.5 -55.86 4.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.397 1.061 . . . . 0.0 109.999 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 51' ' ' PRO . . . 81.95 166.46 37.62 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.451 1.095 . . . . 0.0 111.033 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 49' ' ' GLY . 1.3 tt -37.91 98.51 0.16 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.583 0.814 . . . . 0.0 109.301 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.437 ' N ' ' O ' ' A' ' 49' ' ' GLY . 18.6 Cg_endo -74.91 135.89 19.87 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.535 1.808 . . . . 0.0 111.047 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.81 -42.99 85.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.376 1.048 . . . . 0.0 109.26 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.36 -22.31 2.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.43 HD22 ' CD ' ' A' ' 19' ' ' LYS . 2.8 mt -131.23 39.56 3.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 41.2 ttt180 -112.15 134.72 53.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 110.223 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.601 ' CE1' ' O ' ' A' ' 17' ' ' GLY . 0.1 OUTLIER -142.02 -163.34 1.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.618 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.39 -58.59 2.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 110.283 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.549 ' CD ' ' CE1' ' A' ' 86' ' ' PHE . 14.0 tt0 -128.0 100.83 6.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 110.319 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.1 pt -95.85 176.31 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.432 ' CG2' ' N ' ' A' ' 61' ' ' PHE . 64.9 mt -133.53 162.08 40.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.366 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.515 ' CD1' ' O ' ' A' ' 21' ' ' ILE . 1.0 OUTLIER -139.12 143.67 38.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.422 1.076 . . . . 0.0 111.014 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -140.53 131.99 26.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 109.581 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 86.6 m -81.5 -72.26 0.44 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.118 . . . . 0.0 108.276 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -170.65 -42.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.321 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -160.39 48.98 0.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.06 -71.66 1.94 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.504 1.128 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 60.07 -93.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 0.755 . . . . 0.0 109.242 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.32 86.67 0.26 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.499 1.124 . . . . 0.0 110.284 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 52.1 p -91.26 -27.64 18.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 110.453 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 48.3 t -64.86 -18.81 65.49 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.111 . . . . 0.0 110.061 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.429 ' OD1' ' ND2' ' A' ' 72' ' ' ASN . 18.4 t-20 -52.92 -43.3 66.15 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.494 1.121 . . . . 0.0 109.21 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.429 ' ND2' ' OD1' ' A' ' 71' ' ' ASN . 45.9 m-20 -151.18 57.35 0.9 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.428 1.08 . . . . 0.0 109.244 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -82.45 -15.78 51.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.595 1.184 . . . . 0.0 109.325 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -75.97 -36.91 59.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.405 1.066 . . . . 0.0 109.325 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -65.39 -47.7 75.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.345 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 85.5 mt -59.6 -42.86 93.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.29 -27.06 68.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.58 1.175 . . . . 0.0 109.258 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -89.47 -20.15 24.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.279 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.444 ' N ' ' O ' ' A' ' 75' ' ' LYS . 0.1 OUTLIER -75.34 -40.01 42.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.484 ' O ' ' CB ' ' A' ' 83' ' ' ALA . . . -107.85 37.75 2.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.494 ' CB ' ' HA ' ' A' ' 82' ' ' PRO . . . -95.75 163.51 21.07 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.494 ' HA ' ' CB ' ' A' ' 81' ' ' ALA . 17.9 Cg_endo -74.99 0.3 16.59 Favored 'Cis proline' 0 C--N 1.36 1.178 0 C-N-CA 121.044 -2.482 . . . . 0.0 110.931 0.061 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.484 ' CB ' ' O ' ' A' ' 80' ' ' ALA . . . -39.86 141.75 0.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.423 1.077 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -80.8 117.37 21.4 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.517 1.136 . . . . 0.0 110.334 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.403 ' CD1' ' HB1' ' A' ' 80' ' ' ALA . 5.9 mm -104.57 154.19 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.569 ' CE2' ' HB ' ' A' ' 3' ' ' THR . 8.2 m-85 -142.04 161.76 37.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 111.032 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -125.24 150.49 46.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.074 . . . . 0.0 109.353 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.25 146.88 50.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.418 ' HB3' ' CG2' ' A' ' 4' ' ' THR . 0.0 OUTLIER -76.52 60.55 1.63 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 110.342 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 62.18 139.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 67.67 108.11 0.02 OUTLIER Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.486 1.117 . . . . 0.0 111.039 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.412 ' O ' ' O ' ' A' ' 93' ' ' ASP . 0.6 OUTLIER -73.39 -4.79 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 0.753 . . . . 0.0 109.329 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.514 ' O ' ' N ' ' A' ' 95' ' ' TRP . 11.6 m-20 -40.22 -90.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.378 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.477 ' HA3' ' CB ' ' A' ' 7' ' ' PRO . . . 33.71 -92.62 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.573 1.171 . . . . 0.0 110.926 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.593 ' CZ2' ' HB3' ' A' ' 100' ' ' LEU . 15.8 t-105 -39.28 -71.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.466 ' CG ' ' HA ' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -52.56 -32.04 38.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 94' ' ' GLY . 15.9 tttm -56.26 -23.34 35.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.455 ' CB ' HD11 ' A' ' 100' ' ' LEU . . . -90.01 12.27 18.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 67.2 47.81 62.32 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.451 1.095 . . . . 0.0 111.038 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.593 ' HB3' ' CZ2' ' A' ' 95' ' ' TRP . 0.8 OUTLIER -137.46 118.25 10.63 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.495 0.762 . . . . 0.0 109.269 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 172.96 15.35 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.488 1.783 . . . . 0.0 111.008 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 15.6 m -79.85 -178.24 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.595 1.185 . . . . 0.0 109.277 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.569 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . . . -80.17 115.85 19.95 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.1 t -113.82 -172.15 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.435 1.084 . . . . 0.0 109.299 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 24.3 t30 44.14 90.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 109.248 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 7.6 tttt -156.34 61.53 0.56 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.446 1.091 . . . . 0.0 109.294 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.2 t -109.71 90.68 3.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.398 1.061 . . . . 0.0 110.028 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 110.248 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.55 101.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.366 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.574 ' HB ' ' CD2' ' A' ' 86' ' ' PHE . 2.2 m -132.8 166.39 22.37 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.575 1.172 . . . . 0.0 110.401 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.5 t -160.43 145.26 14.5 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.12 . . . . 0.0 110.459 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 29.2 pt -147.03 -171.61 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.242 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.8 p -94.57 157.69 36.71 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.002 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 60.3 5.47 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.473 1.775 . . . . 0.0 110.983 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -140.56 -47.24 0.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.55 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.84 -28.99 16.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.83 -23.85 65.4 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.418 1.074 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.32 -3.74 35.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -96.13 -29.66 13.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.561 1.163 . . . . 0.0 110.256 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.448 ' N ' HD21 ' A' ' 13' ' ' LEU . 0.5 OUTLIER -79.13 -43.53 23.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.598 1.186 . . . . 0.0 109.314 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 20.4 mm -65.02 -38.44 82.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.229 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.11 -3.04 47.14 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 109.393 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.85 -20.73 19.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.258 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 146.12 -17.14 1.73 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.446 1.091 . . . . 0.0 110.985 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.38 144.6 56.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 0.774 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.04 167.03 12.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.372 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.61 129.07 40.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.509 ' CG2' ' CE1' ' A' ' 61' ' ' PHE . 16.7 mt -132.49 155.73 41.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.434 1.084 . . . . 0.0 109.29 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -148.13 147.44 29.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 25.4 pt -94.74 43.21 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 -63.34 -178.46 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 110.276 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.424 ' CG ' ' N ' ' A' ' 26' ' ' ALA . 10.1 t70 -100.24 168.42 9.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.282 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.424 ' N ' ' CG ' ' A' ' 25' ' ' ASP . . . -68.16 -61.62 1.77 Allowed 'General case' 0 C--N 1.323 -0.582 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.411 ' N ' ' OD1' ' A' ' 25' ' ' ASP . 0.0 OUTLIER -54.09 -26.65 28.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -78.15 -14.36 59.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.227 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -104.63 -2.44 25.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.7 tp -62.3 -56.32 19.67 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -89.93 -64.42 1.14 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 110.327 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.468 ' HB3' ' CG2' ' A' ' 102' ' ' VAL . 46.3 mt-10 -76.4 155.45 34.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.318 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.446 ' O ' ' O ' ' A' ' 34' ' ' ILE . 79.2 m-70 -141.49 15.66 2.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.67 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.574 ' CG2' ' CB ' ' A' ' 37' ' ' ALA . 0.0 OUTLIER 55.39 163.63 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.606 ' HG3' ' CD1' ' A' ' 95' ' ' TRP . 18.3 Cg_endo -75.0 101.03 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.554 1.818 . . . . 0.0 111.034 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.442 ' O ' ' O ' ' A' ' 35' ' ' PRO . 2.8 tp10 42.41 96.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.582 1.176 . . . . 0.0 110.318 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.574 ' CB ' ' CG2' ' A' ' 34' ' ' ILE . . . -160.75 -174.07 4.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -150.36 125.99 10.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.78 143.34 42.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.422 ' HB1' ' CG2' ' A' ' 21' ' ' ILE . . . -169.83 69.52 0.62 Allowed Pre-proline 0 C--N 1.323 -0.55 0 O-C-N 124.534 1.146 . . . . 0.0 109.363 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 42' ' ' LEU . 17.9 Cg_endo -75.08 159.03 41.56 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.578 1.831 . . . . 0.0 110.954 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 46' ' ' GLU . 1.4 pp -39.53 -37.63 0.5 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.67 -54.5 40.84 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.503 1.127 . . . . 0.0 109.928 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 48' ' ' SER . 73.6 t -74.35 -36.96 44.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.2 mt -66.59 -17.03 64.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.221 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 42' ' ' LEU . 2.1 mt-10 -100.43 -42.85 6.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.148 . . . . 0.0 110.244 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.81 -26.36 54.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.428 1.08 . . . . 0.0 110.235 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -124.48 -63.74 1.17 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.145 . . . . 0.0 109.959 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 51' ' ' PRO . . . 95.03 179.25 37.31 Favored Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.441 1.088 . . . . 0.0 111.023 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 49' ' ' GLY . 6.5 tp -38.01 98.7 0.17 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.478 0.752 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.439 ' N ' ' O ' ' A' ' 49' ' ' GLY . 18.2 Cg_endo -75.04 131.19 13.96 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.492 1.785 . . . . 0.0 110.965 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.17 -40.42 70.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.357 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.41 -22.94 2.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.8 mt -130.27 39.71 3.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -123.18 143.74 49.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.244 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -162.36 -161.32 0.73 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.623 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -57.18 -48.94 77.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.327 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -144.74 148.38 34.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 110.301 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.414 ' CG1' ' N ' ' A' ' 60' ' ' ILE . 11.3 tt -144.45 164.46 13.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.363 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.416 ' O ' ' CD2' ' A' ' 61' ' ' PHE . 1.2 tt -111.26 -174.82 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.509 ' CE1' ' CG2' ' A' ' 21' ' ' ILE . 0.5 OUTLIER -173.12 144.08 1.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.55 ' CD2' ' HB3' ' A' ' 88' ' ' LEU . 0.2 OUTLIER -113.31 -175.28 2.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.578 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.408 ' O ' ' CB ' ' A' ' 64' ' ' GLN . 24.3 t -156.05 69.94 0.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 0.0 108.355 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.408 ' CB ' ' O ' ' A' ' 63' ' ' CYS . 0.0 OUTLIER 80.05 -70.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -170.01 65.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 39.55 72.01 0.24 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.539 1.149 . . . . 0.0 111.012 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.43 -85.78 0.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 0.771 . . . . 0.0 109.253 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.92 72.04 1.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 110.296 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.47 ' O ' ' CB ' ' A' ' 73' ' ' ALA . 23.3 p -66.42 -33.51 75.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.446 1.091 . . . . 0.0 110.367 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.4 t -44.38 -29.74 0.73 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 110.072 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -51.01 -63.7 1.04 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 0.0 109.218 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -130.81 47.36 2.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 69' ' ' THR . . . -94.08 -11.59 30.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.384 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.88 -43.38 54.71 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.467 ' CG ' ' N ' ' A' ' 76' ' ' LEU . 37.4 pttt -62.1 -51.96 65.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.467 ' N ' ' CG ' ' A' ' 75' ' ' LYS . 81.0 mt -44.82 -48.7 11.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.423 1.077 . . . . 0.0 109.332 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.83 -59.29 5.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.84 -36.62 65.23 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.552 1.157 . . . . 0.0 109.228 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 8.9 mt -63.46 -27.93 43.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.281 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -117.79 42.02 2.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.627 ' HA ' ' N ' ' A' ' 83' ' ' ALA . . . -134.61 166.06 32.03 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.546 ' HA ' ' CB ' ' A' ' 81' ' ' ALA . 18.0 Cg_endo -75.13 117.08 4.45 Favored 'Cis proline' 0 C--N 1.359 1.13 0 C-N-CA 121.008 -2.497 . . . . 0.0 110.941 0.109 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.627 ' N ' ' HA ' ' A' ' 81' ' ' ALA . . . -161.92 160.06 27.41 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.365 1.041 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -81.33 93.72 6.61 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 13.1 mm -101.05 158.72 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.343 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.574 ' CD2' ' HB ' ' A' ' 3' ' ' THR . 48.0 m-85 -148.01 155.84 41.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.6 148.52 42.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.55 ' HB3' ' CD2' ' A' ' 62' ' ' HIS . 10.0 tp -114.85 65.93 0.68 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.536 1.147 . . . . 0.0 109.356 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -69.18 75.49 0.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.299 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -159.41 130.1 5.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 93' ' ' ASP . . . -37.01 105.68 0.04 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.548 1.155 . . . . 0.0 110.947 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.433 ' C ' ' O ' ' A' ' 91' ' ' GLY . 3.3 tp -37.73 -32.93 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.44 0.729 . . . . 0.0 109.209 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 91' ' ' GLY . 1.5 m-20 -40.85 -30.83 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.344 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.428 ' N ' ' C ' ' A' ' 92' ' ' ILE . . . -45.41 -45.45 11.42 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.627 1.204 . . . . 0.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.606 ' CD1' ' HG3' ' A' ' 35' ' ' PRO . 37.6 t-105 -48.42 -70.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.2 tttt -55.15 -27.57 46.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.261 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -56.4 -18.15 10.22 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -106.39 22.93 14.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 59.07 45.16 95.67 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.451 1.094 . . . . 0.0 111.04 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.504 ' O ' ' CD1' ' A' ' 95' ' ' TRP . 1.2 mt -137.95 105.42 8.1 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.523 0.778 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 174.65 12.43 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.517 1.798 . . . . 0.0 111.013 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.468 ' CG2' ' HB3' ' A' ' 32' ' ' GLU . 20.7 m -81.04 -172.7 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.439 1.087 . . . . 0.0 109.374 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -83.46 77.02 9.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.574 1.171 . . . . 0.0 109.347 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.1 t -83.66 174.46 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' A' ' 107' ' ' SER . 33.6 m-80 -77.9 -70.75 0.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.418 1.074 . . . . 0.0 109.356 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.51 85.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.228 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 105' ' ' ASN . 0.1 OUTLIER -179.62 79.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.927 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 59.8 tp60 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.553 1.158 . . . . 0.0 110.303 179.965 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.563 ' CD1' ' N ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -100.07 81.87 2.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 0.0 109.352 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.568 ' HB ' ' CD1' ' A' ' 86' ' ' PHE . 3.9 m -89.82 169.37 11.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.373 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 85.1 m -111.3 172.62 6.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.364 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.471 ' CD1' ' HB3' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -172.65 177.6 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.516 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 0.6 OUTLIER 162.38 -51.4 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.927 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 6' ' ' SER . 18.3 Cg_endo -74.94 -163.35 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.447 1.762 . . . . 0.0 110.939 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.4 ' O ' ' N ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -44.4 -28.9 0.61 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.547 1.154 . . . . 0.0 109.575 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.471 ' HB3' ' CD1' ' A' ' 5' ' ' ILE . 0.8 OUTLIER -52.51 -32.43 40.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 0.0 109.363 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.57 -24.22 36.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.271 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 8' ' ' HIS . 13.4 tm0? -80.77 0.55 34.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.452 1.095 . . . . 0.0 110.264 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -97.81 -35.29 10.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.331 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.421 ' N ' HD21 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -74.98 -43.75 52.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 72.9 mt -62.5 -39.25 83.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.38 -7.0 56.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.329 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 40.1 mtt180 -98.27 -14.16 20.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.59 1.181 . . . . 0.0 110.308 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 103.03 30.76 5.32 Favored Glycine 0 CA--C 1.532 1.124 0 O-C-N 124.411 1.07 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.56 179.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 0.774 . . . . 0.0 109.356 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.78 97.33 3.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.0 tt -84.81 128.05 34.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.415 HG22 ' CE1' ' A' ' 61' ' ' PHE . 0.7 OUTLIER -105.76 126.91 61.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.365 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.402 ' CG ' ' SG ' ' A' ' 63' ' ' CYS . 0.2 OUTLIER -92.73 97.13 10.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.102 . . . . 0.0 109.316 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -94.61 39.65 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.577 1.173 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.29 -177.42 4.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 110.268 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -41.77 142.5 0.65 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.416 ' HB1' ' CG ' ' A' ' 39' ' ' LEU . . . -120.44 -78.84 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -83.5 -17.07 43.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.91 -38.01 75.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.319 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.465 ' O ' ' N ' ' A' ' 31' ' ' ARG . 0.4 OUTLIER -114.58 -40.8 3.52 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.437 1.086 . . . . 0.0 110.997 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.547 ' CD1' ' O ' ' A' ' 30' ' ' LEU . 0.2 OUTLIER 39.21 29.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.375 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 29' ' ' TYR . 42.4 mtt180 -99.64 -81.83 0.45 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 110.19 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -78.01 165.62 23.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.558 1.161 . . . . 0.0 110.21 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.443 ' HB3' ' CB ' ' A' ' 103' ' ' ALA . 2.8 t-160 -136.79 -144.89 0.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.595 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.472 HG21 ' CB ' ' A' ' 37' ' ' ALA . 0.1 OUTLIER -166.96 154.87 8.89 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 109.248 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.475 ' HG3' ' CE2' ' A' ' 95' ' ' TRP . 18.1 Cg_endo -75.09 107.51 2.5 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.509 1.794 . . . . 0.0 110.941 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 66.95 74.24 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.257 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.472 ' CB ' HG21 ' A' ' 34' ' ' ILE . . . -119.9 -173.18 2.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -177.7 108.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.416 ' CG ' ' HB1' ' A' ' 26' ' ' ALA . 4.0 mp -41.26 127.44 2.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.46 ' O ' ' CD1' ' A' ' 45' ' ' LEU . . . -175.09 77.49 0.31 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.419 1.074 . . . . 0.0 109.303 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 42' ' ' LEU . 18.0 Cg_endo -75.13 151.51 39.04 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.551 1.816 . . . . 0.0 111.032 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 46' ' ' GLU . 1.3 pp -38.71 -39.01 0.45 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.7 m -53.08 -54.3 37.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.026 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.419 ' N ' ' O ' ' A' ' 41' ' ' PRO . 98.8 t -72.22 -44.36 64.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.095 . . . . 0.0 109.242 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.46 ' CD1' ' O ' ' A' ' 40' ' ' ALA . 36.7 mt -60.06 -19.71 54.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 42' ' ' LEU . 2.9 mt-10 -92.62 -56.79 2.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 110.225 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -21.34 66.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.399 1.062 . . . . 0.0 110.274 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 49' ' ' GLY . 8.5 t -101.19 -48.61 4.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.599 1.187 . . . . 0.0 109.99 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.52 ' O ' ' C ' ' A' ' 50' ' ' LEU . . . 60.16 130.13 0.01 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.52 ' C ' ' O ' ' A' ' 49' ' ' GLY . 0.2 OUTLIER 31.24 82.52 0.21 Allowed Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.496 0.762 . . . . 0.0 109.334 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 135.03 18.73 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.474 1.776 . . . . 0.0 111.038 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.44 -18.15 55.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.17 -16.79 48.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.9 mt -136.23 42.06 2.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.575 1.172 . . . . 0.0 109.269 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.3 ttt-85 -98.38 149.67 22.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.24 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -168.78 -149.59 0.08 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 109.616 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -107.54 -50.84 3.0 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.567 ' HB3' ' CE2' ' A' ' 86' ' ' PHE . 13.4 mt-30 -128.23 106.05 8.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.165 . . . . 0.0 110.248 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.496 ' CD1' ' O ' ' A' ' 60' ' ' ILE . 0.7 OUTLIER -100.83 173.46 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.496 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 3.6 mm -118.19 146.03 23.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.421 ' CE2' HD23 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -136.73 99.74 4.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.997 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.608 ' CD2' ' O ' ' A' ' 88' ' ' LEU . 1.8 t-80 -178.75 -178.19 0.55 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.62 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.483 ' CB ' ' O ' ' A' ' 62' ' ' HIS . 0.8 OUTLIER 160.4 170.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.505 1.128 . . . . 0.0 108.301 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 65.2 -90.56 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.319 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 173.87 52.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 138.7 162.0 8.99 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.504 1.128 . . . . 0.0 111.03 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.43 ' O ' ' CB ' ' A' ' 68' ' ' ARG . 4.9 tptp -170.0 -43.74 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 0.775 . . . . 0.0 109.272 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.43 ' CB ' ' O ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER 78.85 43.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.359 -179.917 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.415 ' O ' ' N ' ' A' ' 73' ' ' ALA . 11.4 p -64.06 -19.39 65.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.347 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 41.9 t -57.1 -17.67 11.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.014 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -62.4 -63.58 1.19 Allowed 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 63.0 m-80 -126.25 44.79 2.78 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 69' ' ' THR . . . -56.65 -20.22 20.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.594 1.184 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.65 -62.6 1.7 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.432 1.082 . . . . 0.0 109.257 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.64 -30.13 54.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.269 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.421 HD23 ' CE2' ' A' ' 61' ' ' PHE . 28.5 mt -71.61 -40.04 70.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.466 ' HA ' ' CD1' ' A' ' 85' ' ' ILE . . . -78.9 0.94 25.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -110.13 -0.87 17.75 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -87.41 -44.94 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.399 1.062 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.425 ' O ' ' CB ' ' A' ' 83' ' ' ALA . . . -109.27 38.07 2.41 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.582 1.176 . . . . 0.0 109.229 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.59 ' HA ' ' N ' ' A' ' 83' ' ' ALA . . . -107.93 166.03 11.68 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.592 1.182 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.528 ' HA ' ' CB ' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -74.96 118.58 5.38 Favored 'Cis proline' 0 C--N 1.359 1.096 0 C-N-CA 121.0 -2.5 . . . . 0.0 110.986 -0.036 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.59 ' N ' ' HA ' ' A' ' 81' ' ' ALA . . . -163.47 164.69 24.35 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.329 1.018 . . . . 0.0 109.266 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -102.75 76.8 1.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.341 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.468 ' CG2' HG13 ' A' ' 59' ' ' ILE . 18.0 pt -79.2 139.74 17.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.395 1.06 . . . . 0.0 109.319 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.568 ' CD1' ' HB ' ' A' ' 3' ' ' THR . 13.1 m-85 -112.74 152.07 29.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.413 1.07 . . . . 0.0 110.977 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.35 147.16 43.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.445 1.09 . . . . 0.0 109.361 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.608 ' O ' ' CD2' ' A' ' 62' ' ' HIS . 0.3 OUTLIER -85.53 144.04 28.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -66.92 -160.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.105 . . . . 0.0 110.348 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -83.92 80.83 9.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 109.325 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 134.14 100.69 0.69 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 1.2 pp -74.53 -3.61 4.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.479 0.752 . . . . 0.0 109.34 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 97' ' ' LYS . 2.4 p30 -50.46 -22.65 2.0 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 93' ' ' ASP . . . -37.24 -35.83 0.19 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.555 1.159 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.576 ' CZ2' ' HB3' ' A' ' 100' ' ' LEU . 19.5 t-105 -68.73 -60.59 2.29 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.3 ttpp -60.67 -15.5 29.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 93' ' ' ASP . 35.3 tttt -61.67 -15.4 39.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.484 ' CB ' HD13 ' A' ' 100' ' ' LEU . . . -109.19 23.16 14.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 62.45 40.32 98.94 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.502 1.126 . . . . 0.0 110.955 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.576 ' HB3' ' CZ2' ' A' ' 95' ' ' TRP . 1.0 OUTLIER -140.0 100.55 7.19 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.49 0.759 . . . . 0.0 109.343 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.416 ' O ' ' NE1' ' A' ' 95' ' ' TRP . 18.3 Cg_endo -74.99 -177.05 3.2 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.522 1.801 . . . . 0.0 110.937 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 22.3 m -85.78 -169.81 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.443 ' CB ' ' HB3' ' A' ' 33' ' ' HIS . . . -87.39 101.78 13.9 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.4 t -92.56 -166.21 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -70.35 118.35 13.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.269 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.1 mtpm? -78.06 -171.04 2.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 109.248 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 42.99 89.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.516 1.135 . . . . 0.0 109.964 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.26 -179.974 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.491 ' C ' ' CD1' ' A' ' 2' ' ' LEU . 0.2 OUTLIER -55.41 108.82 0.46 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 87' ' ' LEU . 7.7 m -138.53 171.84 13.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.437 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 62.4 m -113.3 123.64 50.61 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.553 1.158 . . . . 0.0 110.408 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.404 ' CG2' ' HB3' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -123.49 144.72 32.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 109.271 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.7 m -67.12 139.76 95.41 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.964 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.09 0.41 8.98 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.534 1.807 . . . . 0.0 111.041 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -89.57 -32.69 17.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 109.616 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -101.87 -25.8 13.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.404 ' HB3' ' CG2' ' A' ' 5' ' ' ILE . . . -64.58 -26.98 68.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.344 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.6 tm0? -75.17 -2.42 27.71 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.541 1.15 . . . . 0.0 110.253 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -100.11 -47.78 4.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 110.245 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.484 HD12 ' CB ' ' A' ' 18' ' ' ALA . 3.6 pp -64.42 -37.05 86.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.373 1.045 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.474 ' HA ' ' CB ' ' A' ' 18' ' ' ALA . 9.1 mt -63.06 -49.52 83.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.17 -9.34 52.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.255 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -92.01 -22.61 19.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 110.36 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 162.12 -40.77 0.38 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.571 1.169 . . . . 0.0 111.029 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.484 ' CB ' HD12 ' A' ' 13' ' ' LEU . . . -43.44 143.68 0.87 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 0.805 . . . . 0.0 109.364 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.65 160.3 20.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.2 tt -114.71 158.77 21.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.155 . . . . 0.0 109.241 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.547 HG21 ' CD2' ' A' ' 61' ' ' PHE . 0.8 OUTLIER -137.32 127.04 37.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.452 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 0.0 OUTLIER -95.87 104.21 16.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 6.1 mt -90.77 41.11 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.132 . . . . 0.0 109.266 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -116.2 -173.57 2.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 110.281 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -42.47 158.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 0.0 109.303 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -109.8 -74.59 0.65 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -109.75 -8.33 14.94 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.418 1.074 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.01 -39.62 92.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.249 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.52 ' O ' ' C ' ' A' ' 30' ' ' LEU . 1.4 t80 -120.34 -45.27 2.44 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.517 1.135 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.52 ' C ' ' O ' ' A' ' 29' ' ' TYR . 2.9 tt 31.4 44.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 29' ' ' TYR . 3.9 mtt180 -95.26 -77.31 0.47 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 110.323 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -65.24 168.97 6.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 110.221 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -170.14 87.76 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.578 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.504 ' C ' ' H ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -44.28 156.73 0.32 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 109.217 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.566 ' HG3' ' CE2' ' A' ' 95' ' ' TRP . 17.9 Cg_endo -74.98 28.91 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.479 1.778 . . . . 0.0 110.943 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.504 ' H ' ' C ' ' A' ' 34' ' ' ILE . 1.4 mt-10 165.46 89.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 110.333 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -148.0 178.48 8.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.591 1.182 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.469 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 52.0 m-20 -159.32 104.26 1.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.245 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.441 ' C ' ' O ' ' A' ' 38' ' ' ASP . 4.1 tp -37.5 124.24 1.02 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.575 1.172 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -170.28 65.38 0.49 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.313 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.07 171.21 18.77 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.49 1.784 . . . . 0.0 110.997 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 46' ' ' GLU . 14.6 mt -46.9 -39.49 12.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.6 p -51.84 -56.27 14.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 109.898 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.51 ' O ' ' CB ' ' A' ' 48' ' ' SER . 96.0 t -73.46 -39.23 54.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 O-C-N 124.404 1.065 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.7 mt -63.3 -17.75 62.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.38 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 42' ' ' LEU . 1.3 mm-40 -102.88 -60.11 1.6 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.552 1.157 . . . . 0.0 110.259 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.12 -41.35 94.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.374 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 44' ' ' VAL . 0.3 OUTLIER -87.04 -53.93 4.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.98 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 50' ' ' LEU . . . 93.97 -171.17 31.14 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.519 1.137 . . . . 0.0 110.957 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 49' ' ' GLY . 6.4 tt -38.7 101.48 0.23 Allowed Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.49 0.759 . . . . 0.0 109.349 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 75.53 3.67 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.466 1.772 . . . . 0.0 110.992 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.78 -18.94 9.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.02 -28.82 69.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 109.271 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.469 ' CD1' ' HB3' ' A' ' 38' ' ' ASP . 0.4 OUTLIER -126.3 38.13 4.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.558 ' NH2' ' CD1' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -123.49 166.53 15.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 110.253 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -159.99 -161.63 0.91 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.628 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -52.74 -20.77 3.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 110.227 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -171.17 157.32 5.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.609 ' CD1' ' CD2' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -143.57 149.74 17.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.595 1.184 . . . . 0.0 109.261 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -142.1 128.71 19.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.413 1.071 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.609 ' CD2' ' CD1' ' A' ' 59' ' ' ILE . 0.8 OUTLIER -138.82 -171.34 3.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -173.22 151.19 2.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.626 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 21.3 p -49.39 172.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 108.266 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -54.54 -83.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.266 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -144.29 61.53 1.34 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -144.2 -138.86 3.41 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.421 1.076 . . . . 0.0 111.0 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.88 -166.57 2.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.422 0.719 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 66.34 78.84 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.362 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 81.1 m -119.77 -39.58 2.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.59 1.181 . . . . 0.0 110.41 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 47.4 t -67.69 -14.19 62.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 110.056 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -48.65 -43.02 36.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.346 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 -152.11 50.64 0.79 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.406 1.066 . . . . 0.0 109.258 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -84.3 -11.25 56.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -64.54 -52.94 55.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 109.362 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -50.7 -46.52 58.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 17.7 mt -67.62 -45.57 75.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 109.349 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -53.97 -20.76 6.69 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.462 1.101 . . . . 0.0 109.397 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -104.74 -30.55 9.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.21 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.435 ' N ' ' O ' ' A' ' 75' ' ' LYS . 0.3 OUTLIER -60.45 -16.07 11.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 109.361 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.43 ' O ' ' CB ' ' A' ' 83' ' ' ALA . . . -128.43 38.03 4.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.535 ' CB ' ' HA ' ' A' ' 82' ' ' PRO . . . -99.2 165.49 14.75 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.535 ' HA ' ' CB ' ' A' ' 81' ' ' ALA . 18.5 Cg_endo -74.96 0.83 16.13 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 120.953 -2.519 . . . . 0.0 111.03 -0.069 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 82' ' ' PRO . . . -36.99 145.65 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.564 1.165 . . . . 0.0 109.299 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -81.62 117.76 22.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.328 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.608 ' O ' ' CD1' ' A' ' 86' ' ' PHE . 7.9 mm -109.55 164.73 5.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.608 ' CD1' ' O ' ' A' ' 85' ' ' ILE . 10.2 m-85 -161.67 177.24 10.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 111.008 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 3' ' ' THR . 26.2 mt -119.7 153.79 35.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.247 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 89' ' ' GLU . 9.0 tt -118.65 107.56 13.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 88' ' ' LEU . 0.0 OUTLIER -38.96 111.83 0.2 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 0.0 110.403 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.426 ' HB3' ' CB ' ' A' ' 93' ' ' ASP . 39.1 m-20 64.27 139.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 109.356 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -81.08 -95.7 0.42 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.512 1.133 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 10.6 tp -50.8 -43.91 25.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.551 0.795 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.426 ' CB ' ' HB3' ' A' ' 90' ' ' ASP . 0.5 OUTLIER -55.68 -19.65 11.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.441 ' O ' ' CB ' ' A' ' 97' ' ' LYS . . . -61.99 -76.37 0.25 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.514 1.134 . . . . 0.0 111.025 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.589 ' CZ2' ' HB3' ' A' ' 100' ' ' LEU . 22.9 t-105 -60.67 -22.77 64.24 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.0 tttt -87.38 -0.06 56.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.441 ' CB ' ' O ' ' A' ' 94' ' ' GLY . 13.2 tptp -56.9 -19.72 19.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.559 ' CB ' ' CD1' ' A' ' 100' ' ' LEU . . . -125.65 28.61 6.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.271 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 56.75 40.2 88.54 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.534 1.146 . . . . 0.0 111.013 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.589 ' HB3' ' CZ2' ' A' ' 95' ' ' TRP . 0.3 OUTLIER -106.95 115.03 60.91 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.474 0.749 . . . . 0.0 109.351 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 152.69 40.74 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.526 1.803 . . . . 0.0 110.954 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 20.8 m -80.06 176.92 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -79.54 76.65 6.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.415 1.072 . . . . 0.0 109.277 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.536 ' CG1' ' N ' ' A' ' 105' ' ' ASN . 3.2 p -85.31 -145.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.536 ' N ' ' CG1' ' A' ' 104' ' ' VAL . 16.3 p30 -65.95 166.59 11.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 45.47 88.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.598 1.186 . . . . 0.0 109.267 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 7.7 t -166.91 134.44 2.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.426 1.079 . . . . 0.0 109.96 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? . . . . . 0 C--N 1.327 -0.398 0 O-C-N 124.467 1.105 . . . . 0.0 110.333 179.96 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.513 ' HA ' HD23 ' A' ' 2' ' ' LEU . 6.0 mt . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.575 ' HB ' ' CE2' ' A' ' 86' ' ' PHE . 1.7 m -129.0 166.27 19.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.394 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.454 HG23 ' N ' ' A' ' 5' ' ' ILE . 2.8 t -141.39 -170.06 3.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.555 1.159 . . . . 0.0 110.416 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.454 ' N ' HG23 ' A' ' 4' ' ' THR . 0.6 OUTLIER -153.55 -170.44 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.424 1.077 . . . . 0.0 109.336 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.5 p -107.31 147.41 35.18 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.013 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.84 60.73 5.38 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.468 1.772 . . . . 0.0 111.031 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -163.29 -43.99 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.571 1.17 . . . . 0.0 109.582 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -91.44 -29.0 17.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.23 -21.03 46.37 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.437 1.086 . . . . 0.0 109.328 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 20.5 tm0? -79.11 -2.6 41.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.281 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -94.94 -35.65 11.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.586 1.178 . . . . 0.0 110.184 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.72 ' N ' HD23 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -69.42 -49.66 53.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.426 1.079 . . . . 0.0 109.329 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.732 ' HA ' ' HB3' ' A' ' 18' ' ' ALA . 11.0 mt -59.95 -39.45 80.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.61 -3.92 46.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.1 mtp-105 -98.64 -20.87 16.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 110.274 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 130.83 42.41 0.2 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.603 1.189 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.732 ' HB3' ' HA ' ' A' ' 14' ' ' ILE . . . -111.67 131.27 55.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 0.785 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.23 134.89 35.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.254 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.682 ' HA ' HG22 ' A' ' 60' ' ' ILE . 6.1 tt -107.31 103.76 13.21 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.477 1.111 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.507 HG13 ' HB3' ' A' ' 40' ' ' ALA . 1.1 mp -86.05 115.53 27.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.236 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.459 ' OD1' ' N ' ' A' ' 22' ' ' ASP . 0.1 OUTLIER -91.17 106.49 18.55 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.744 HG22 HD11 ' A' ' 45' ' ' LEU . 5.0 pt -89.44 39.94 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.586 1.179 . . . . 0.0 109.253 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.643 ' NH1' ' CE1' ' A' ' 29' ' ' TYR . 3.1 ptp180 -116.88 -173.05 2.32 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.489 ' CB ' ' HB2' ' A' ' 28' ' ' GLU . 1.0 OUTLIER -59.6 174.26 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.407 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.477 ' HB2' HD21 ' A' ' 39' ' ' LEU . . . -120.66 -69.77 0.82 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.22 -39.97 74.79 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.489 ' HB2' ' CB ' ' A' ' 25' ' ' ASP . 3.9 mm-40 -59.27 -23.19 62.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 110.323 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.643 ' CE1' ' NH1' ' A' ' 24' ' ' ARG . 0.6 OUTLIER -118.64 0.82 11.59 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.502 1.126 . . . . 0.0 110.972 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 26' ' ' ALA . 2.4 tp -45.66 -25.99 0.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.6 1.188 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.423 ' N ' ' C ' ' A' ' 29' ' ' TYR . 2.8 mmp_? -54.15 -52.9 59.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.425 1.078 . . . . 0.0 110.301 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.729 ' HB2' HG21 ' A' ' 102' ' ' VAL . 1.1 pt-20 -116.84 152.54 34.22 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 0.0 110.34 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.552 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.2 OUTLIER -152.82 119.22 5.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.557 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.473 HG12 ' CD ' ' A' ' 35' ' ' PRO . 0.0 OUTLIER -45.94 163.42 0.22 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.239 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.557 ' HG3' ' CE2' ' A' ' 95' ' ' TRP . 18.5 Cg_endo -74.95 47.57 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.486 1.782 . . . . 0.0 111.011 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.445 ' CB ' ' O ' ' A' ' 35' ' ' PRO . 2.9 mt-10 164.49 -86.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.276 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.438 ' O ' ' CG ' ' A' ' 38' ' ' ASP . . . 50.21 179.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.419 1.075 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.82 ' HB3' HD13 ' A' ' 54' ' ' LEU . 53.7 m-20 -168.75 92.19 0.29 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.467 1.104 . . . . 0.0 109.245 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.477 HD21 ' HB2' ' A' ' 26' ' ' ALA . 0.3 OUTLIER -38.21 119.5 0.8 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.669 ' O ' HD11 ' A' ' 45' ' ' LEU . . . -171.7 66.05 0.41 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.43 ' O ' ' N ' ' A' ' 44' ' ' VAL . 18.3 Cg_endo -74.97 163.6 35.06 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.441 1.758 . . . . 0.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 46' ' ' GLU . 0.9 OUTLIER -41.19 -39.02 1.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.349 179.878 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.404 ' N ' ' HG ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -55.27 -48.2 74.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.019 -179.929 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.507 ' O ' ' CB ' ' A' ' 48' ' ' SER . 74.4 t -78.24 -39.36 24.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.744 HD11 HG22 ' A' ' 23' ' ' ILE . 9.5 mt -64.93 -17.45 64.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 42' ' ' LEU . 4.0 mt-10 -101.74 -59.05 1.77 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.458 1.099 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.57 -39.82 92.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.261 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.507 ' CB ' ' O ' ' A' ' 44' ' ' VAL . 0.3 OUTLIER -89.9 -54.58 3.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.99 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.34 -157.73 15.37 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.517 1.135 . . . . 0.0 111.032 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.78 HD12 ' O ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -46.13 141.05 4.8 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.508 0.769 . . . . 0.0 109.367 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 50' ' ' LEU . 18.5 Cg_endo -75.04 65.16 6.11 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.492 1.785 . . . . 0.0 110.991 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.48 -52.03 63.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.2 ptmt -54.57 -20.17 7.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.264 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.82 HD13 ' HB3' ' A' ' 38' ' ' ASP . 0.3 OUTLIER -130.07 39.3 3.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.364 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.404 ' N ' ' O ' ' A' ' 51' ' ' PRO . 4.2 ttt-85 -114.19 137.63 51.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 110.319 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 25.9 t-80 -139.47 -95.55 0.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.567 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -119.91 -52.61 2.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.293 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -132.1 119.07 20.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 110.329 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.468 HD11 ' HB1' ' A' ' 80' ' ' ALA . 1.1 pt -111.39 146.73 15.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.591 1.182 . . . . 0.0 109.241 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.682 HG22 ' HA ' ' A' ' 20' ' ' LEU . 5.9 tt -102.7 163.73 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.569 ' HZ ' HD22 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -146.04 97.14 2.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 111.0 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.504 ' O ' ' CB ' ' A' ' 63' ' ' CYS . 14.2 t-80 -176.61 169.71 2.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.641 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 62' ' ' HIS . 0.8 OUTLIER 159.85 56.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 108.32 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -156.16 176.35 12.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.272 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -116.73 45.75 1.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 109.263 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 82.95 100.16 0.51 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.518 1.136 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -134.15 -78.12 0.46 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.496 0.762 . . . . 0.0 109.337 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.73 73.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.151 . . . . 0.0 110.363 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.7 m -89.55 -47.38 8.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.434 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.7 t -47.4 -25.4 1.03 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.946 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -45.16 -61.62 1.57 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.567 ' O ' HD12 ' A' ' 76' ' ' LEU . 16.0 m-20 -128.15 48.93 2.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.09 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -91.88 -5.85 52.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.535 1.147 . . . . 0.0 109.238 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 77' ' ' ALA . 0.0 OUTLIER -83.99 -77.93 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.422 1.076 . . . . 0.0 109.377 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.1 -26.79 0.81 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.453 1.096 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.567 HD12 ' O ' ' A' ' 72' ' ' ASN . 9.8 mt -66.98 -44.43 80.43 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 74' ' ' ASP . . . -62.38 -25.45 67.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -89.05 -13.5 38.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.345 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 12.2 mt -82.53 -30.32 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.78 ' O ' HD12 ' A' ' 50' ' ' LEU . . . -97.45 18.08 16.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.909 ' HB1' ' HA ' ' A' ' 82' ' ' PRO . . . -100.95 167.35 10.91 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.909 ' HA ' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -75.04 119.74 6.18 Favored 'Cis proline' 0 C--N 1.359 1.124 0 C-N-CA 120.99 -2.504 . . . . 0.0 111.015 0.033 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.645 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -174.07 159.51 3.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.514 ' C ' HD13 ' A' ' 85' ' ' ILE . 1.3 mm-40 -83.3 103.97 13.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 110.321 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.539 ' N ' HD13 ' A' ' 85' ' ' ILE . 1.6 mm -97.41 148.31 5.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 109.356 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.575 ' CE2' ' HB ' ' A' ' 3' ' ' THR . 29.8 m-85 -145.18 162.16 37.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.135 . . . . 0.0 110.946 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.461 HD11 ' CD2' ' A' ' 2' ' ' LEU . 20.2 mt -113.97 158.48 21.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.481 ' HB3' ' CG ' ' A' ' 62' ' ' HIS . 0.4 OUTLIER -103.53 120.49 40.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 91' ' ' GLY . 0.6 OUTLIER -37.67 129.99 1.07 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 110.303 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 89' ' ' GLU . 4.0 m-20 -38.95 96.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 89' ' ' GLU . . . 157.53 106.27 0.23 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.952 ' O ' HD13 ' A' ' 92' ' ' ILE . 0.0 OUTLIER -62.6 -14.09 12.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.462 0.742 . . . . 0.0 109.335 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.51 ' O ' ' N ' ' A' ' 95' ' ' TRP . 4.0 m-20 -39.03 -93.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.252 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 42.86 -91.07 0.01 OUTLIER Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.865 ' O ' HD12 ' A' ' 100' ' ' LEU . 6.8 t-105 -61.85 -33.52 74.33 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 16.8 tttt -86.29 -8.89 57.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.337 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.9 tptp -58.82 -22.64 59.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 1.067 ' HB3' HD11 ' A' ' 100' ' ' LEU . . . -108.01 23.56 14.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.266 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 55.95 49.54 66.31 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.607 1.192 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 1.067 HD11 ' HB3' ' A' ' 98' ' ' ALA . 0.3 OUTLIER -115.51 120.51 36.12 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.52 0.776 . . . . 0.0 109.311 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 149.96 37.36 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.385 1.729 . . . . 0.0 111.001 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.729 HG21 ' HB2' ' A' ' 32' ' ' GLU . 33.7 m -79.49 -177.0 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 109.255 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.552 ' O ' ' CD2' ' A' ' 33' ' ' HIS . . . -80.04 111.48 16.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.467 HG12 ' H ' ' A' ' 105' ' ' ASN . 1.7 t -99.33 171.24 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 109.267 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.467 ' H ' HG12 ' A' ' 104' ' ' VAL . 1.8 p-10 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.376 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.526 HD23 ' N ' ' A' ' 2' ' ' LEU . 1.2 mt . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.5 m -122.09 165.58 15.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.572 1.17 . . . . 0.0 110.432 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.7 t -169.34 136.88 1.8 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.408 1.067 . . . . 0.0 110.487 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.759 HG13 HD11 ' A' ' 88' ' ' LEU . 27.6 pt -140.39 -171.92 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 O-C-N 124.455 1.097 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 m -104.61 158.66 31.52 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 110.006 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 58.46 4.92 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.477 1.778 . . . . 0.0 110.956 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -129.76 -45.18 1.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 109.593 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.26 -20.83 13.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.912 ' O ' HD12 ' A' ' 14' ' ' ILE . . . -72.57 -28.07 62.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.7 tm0? -73.41 -2.82 23.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.341 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -96.27 -49.98 4.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.234 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.536 HD21 ' HA ' ' A' ' 10' ' ' ALA . 1.0 OUTLIER -64.3 -37.57 87.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.423 1.077 . . . . 0.0 109.229 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.912 HD12 ' O ' ' A' ' 10' ' ' ALA . 5.6 mt -62.65 -47.31 93.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.88 -9.39 57.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.412 1.07 . . . . 0.0 109.252 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -91.51 -22.69 20.25 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 0.0 110.384 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 161.88 -40.03 0.39 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.875 ' HB3' ' HA ' ' A' ' 14' ' ' ILE . . . -42.65 117.09 0.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 0.776 . . . . 0.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.571 ' HD3' HD23 ' A' ' 54' ' ' LEU . 0.1 OUTLIER -81.62 157.68 24.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 109.304 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.885 HD12 HG21 ' A' ' 60' ' ' ILE . 0.3 OUTLIER -113.76 126.04 54.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.438 HG23 ' HB3' ' A' ' 40' ' ' ALA . 25.1 mm -128.39 143.23 41.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -138.55 142.84 39.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.589 1.181 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.584 HG22 HD12 ' A' ' 45' ' ' LEU . 42.4 pt -96.24 41.82 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.476 ' CZ ' ' OE1' ' A' ' 28' ' ' GLU . 3.7 ptm180 -84.03 177.34 8.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -87.11 176.46 7.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.347 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 29' ' ' TYR . . . -92.86 -49.08 6.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.464 1.102 . . . . 0.0 109.35 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -50.28 -27.82 6.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.421 1.076 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.476 ' OE1' ' CZ ' ' A' ' 24' ' ' ARG . 0.6 OUTLIER -76.34 -29.89 57.43 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.562 ' O ' ' CD1' ' A' ' 29' ' ' TYR . 3.9 t80 -86.5 -4.04 59.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.8 tp -65.48 -33.19 75.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.44 -76.67 0.61 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.448 1.093 . . . . 0.0 110.278 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.82 173.23 12.8 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 110.273 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.865 ' HB3' ' HB3' ' A' ' 103' ' ' ALA . 0.7 OUTLIER -143.74 -139.29 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 109.575 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.562 ' CG2' ' HB3' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -157.95 163.72 23.7 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.35 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.599 ' HG3' ' CD1' ' A' ' 95' ' ' TRP . 18.2 Cg_endo -74.98 80.96 2.31 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.527 1.804 . . . . 0.0 110.931 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 65.49 105.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.562 ' HB3' ' CG2' ' A' ' 34' ' ' ILE . . . -169.56 -173.29 1.62 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -154.43 121.57 5.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.31 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.8 135.51 51.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 109.318 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.584 ' O ' HG22 ' A' ' 23' ' ' ILE . . . -171.3 87.09 0.47 Allowed Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.467 1.104 . . . . 0.0 109.309 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.435 ' HA ' ' CB ' ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.03 152.0 40.09 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.483 1.781 . . . . 0.0 111.047 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 46' ' ' GLU . 0.6 OUTLIER -38.25 -38.3 0.34 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.596 1.185 . . . . 0.0 109.296 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.77 -62.1 1.87 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.627 1.204 . . . . 0.0 109.925 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 48' ' ' SER . 44.6 t -70.33 -37.33 70.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.584 HD12 HG22 ' A' ' 23' ' ' ILE . 13.5 mt -64.6 -17.97 64.48 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.424 1.078 . . . . 0.0 109.264 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 42' ' ' LEU . 0.9 OUTLIER -96.53 -45.45 6.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 110.345 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.27 -23.42 57.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.581 1.176 . . . . 0.0 110.341 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 44' ' ' VAL . 2.2 t -102.51 -56.88 2.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.007 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.422 ' O ' ' N ' ' A' ' 51' ' ' PRO . . . 83.44 161.94 32.29 Favored Glycine 0 CA--C 1.528 0.869 0 O-C-N 124.511 1.132 . . . . 0.0 111.08 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.437 HD22 ' HA ' ' A' ' 50' ' ' LEU . 1.0 OUTLIER -38.8 99.2 0.19 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.446 0.733 . . . . 0.0 109.31 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.422 ' N ' ' O ' ' A' ' 49' ' ' GLY . 18.5 Cg_endo -74.91 152.63 41.46 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.428 1.751 . . . . 0.0 111.049 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.69 -39.32 73.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.44 -23.85 17.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.346 1.029 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.571 HD23 ' HD3' ' A' ' 19' ' ' LYS . 2.3 mt -130.52 39.46 3.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 64.7 ttt180 -107.9 134.94 50.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.254 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -148.95 -164.24 1.98 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.458 1.099 . . . . 0.0 109.575 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -86.17 -32.92 20.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 110.293 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -142.51 113.16 7.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.412 1.07 . . . . 0.0 110.285 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.712 HD11 HD12 ' A' ' 85' ' ' ILE . 1.8 pp -111.76 152.18 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.885 HG21 HD12 ' A' ' 20' ' ' LEU . 19.8 tt -110.87 163.01 7.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.407 ' N ' ' O ' ' A' ' 86' ' ' PHE . 1.1 m-85 -135.82 152.93 51.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.623 ' CE1' ' HB2' ' A' ' 88' ' ' LEU . 10.7 m80 -147.57 107.24 3.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.607 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -49.35 -71.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 108.282 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -162.42 -50.02 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 110.317 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -154.2 57.5 0.71 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.539 1.15 . . . . 0.0 109.351 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 53.87 174.19 0.07 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.489 1.118 . . . . 0.0 110.974 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? 66.78 157.63 0.12 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.478 0.752 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 58.84 35.35 24.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.428 ' C ' ' N ' ' A' ' 71' ' ' ASN . 69.8 p -101.14 -69.27 0.78 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 110.414 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.408 ' N ' ' OG1' ' A' ' 69' ' ' THR . 1.9 t -42.58 -27.77 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.049 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.428 ' N ' ' C ' ' A' ' 69' ' ' THR . 3.3 t-20 -45.77 -49.63 14.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.547 1.154 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -141.24 50.79 1.6 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.462 ' O ' ' HB2' ' A' ' 77' ' ' ALA . . . -81.54 -21.44 38.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.24 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.24 -57.34 3.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.91 -50.61 14.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.329 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 70.3 mt -65.65 -42.45 91.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.583 1.177 . . . . 0.0 109.278 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.462 ' HB2' ' O ' ' A' ' 73' ' ' ALA . . . -65.41 -11.91 47.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.538 1.148 . . . . 0.0 109.274 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -99.64 -15.58 18.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 2.0 mt -79.31 -14.19 13.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.43 1.081 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.84 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -136.87 45.21 2.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.412 1.07 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.804 ' HB1' ' HA ' ' A' ' 82' ' ' PRO . . . -103.89 165.02 14.18 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.453 1.095 . . . . 0.0 109.352 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.804 ' HA ' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -75.06 1.12 16.26 Favored 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 120.956 -2.518 . . . . 0.0 110.989 0.035 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.84 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -37.36 147.98 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.431 1.082 . . . . 0.0 109.264 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.808 ' C ' HD13 ' A' ' 85' ' ' ILE . 10.2 mt-10 -75.21 120.7 21.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.411 1.07 . . . . 0.0 110.254 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.808 HD13 ' C ' ' A' ' 84' ' ' GLU . 2.7 mm -114.12 152.24 15.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.606 1.191 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.602 ' CE1' ' O ' ' A' ' 59' ' ' ILE . 30.7 p90 -175.28 156.88 2.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.57 1.169 . . . . 0.0 111.018 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.687 ' N ' HD13 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -130.52 158.29 40.34 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.759 HD11 HG13 ' A' ' 5' ' ' ILE . 1.0 OUTLIER -98.73 117.15 32.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.568 1.167 . . . . 0.0 109.239 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -42.7 -70.21 0.11 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.472 1.107 . . . . 0.0 110.262 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -61.64 -60.92 2.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.243 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 65.3 -113.01 5.46 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.456 1.098 . . . . 0.0 111.018 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 11.5 mm -50.53 -50.44 21.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.489 0.758 . . . . 0.0 109.34 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.25 -37.97 70.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.533 1.146 . . . . 0.0 109.243 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -73.55 -48.44 17.93 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.465 1.103 . . . . 0.0 110.969 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.632 ' CD1' ' O ' ' A' ' 100' ' ' LEU . 57.2 t-105 -50.93 -44.09 60.19 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.2 tttm -75.72 -26.8 57.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.313 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 27.2 tttt -54.51 -20.02 6.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.847 ' HB3' HD12 ' A' ' 100' ' ' LEU . . . -109.99 24.14 13.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 53.38 43.16 65.61 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.46 1.1 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.847 HD12 ' HB3' ' A' ' 98' ' ' ALA . 4.1 mt -122.06 103.37 39.56 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.533 0.784 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 179.63 5.91 Favored 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.422 1.748 . . . . 0.0 110.978 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 20.0 m -88.94 -166.33 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.62 1.2 . . . . 0.0 109.298 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.865 ' HB3' ' HB3' ' A' ' 33' ' ' HIS . . . -91.89 97.21 10.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.52 HG12 ' H ' ' A' ' 105' ' ' ASN . 2.0 t -97.87 173.42 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.344 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.52 ' H ' HG12 ' A' ' 104' ' ' VAL . 63.5 t30 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.372 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.449 HD22 ' CG ' ' A' ' 87' ' ' LEU . 5.7 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.8 m -103.06 165.94 10.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.419 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.9 t -137.38 134.04 35.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 110.42 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.523 ' HB ' ' HB2' ' A' ' 10' ' ' ALA . 1.9 pp -148.2 -174.36 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.085 . . . . 0.0 109.279 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.494 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 0.6 OUTLIER 163.68 -52.34 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.466 1.104 . . . . 0.0 110.037 -179.925 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 6' ' ' SER . 18.1 Cg_endo -75.06 -162.22 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.432 1.754 . . . . 0.0 111.012 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -44.13 -30.81 0.82 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.465 1.103 . . . . 0.0 109.607 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -53.76 -39.64 65.52 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.422 1.076 . . . . 0.0 109.271 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.523 ' HB2' ' HB ' ' A' ' 5' ' ' ILE . . . -74.57 -26.72 60.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.423 1.077 . . . . 0.0 109.303 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -81.0 1.11 32.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.32 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -98.11 -51.28 4.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.188 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.671 ' CD1' HD11 ' A' ' 60' ' ' ILE . 3.3 pp -62.55 -32.86 73.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.105 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 69.4 mt -67.38 -47.66 80.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.61 -7.79 49.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.574 1.171 . . . . 0.0 109.285 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -90.32 -22.01 21.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 110.272 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.596 ' O ' ' CD2' ' A' ' 56' ' ' HIS . . . 131.26 -4.27 5.57 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.529 1.143 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.465 ' CB ' ' O ' ' A' ' 13' ' ' LEU . . . -56.9 155.56 7.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.576 0.809 . . . . 0.0 109.319 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.461 ' HB3' HG22 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -123.03 152.03 41.35 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 1.033 HD23 ' HB2' ' A' ' 37' ' ' ALA . 0.5 OUTLIER -126.02 149.03 49.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.513 HG23 HG23 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -122.83 152.51 27.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.446 ' HA ' ' CD2' ' A' ' 62' ' ' HIS . 2.5 t70 -115.39 114.51 25.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.885 HG22 ' O ' ' A' ' 40' ' ' ALA . 1.5 pt -120.72 53.27 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.366 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.648 ' CZ ' ' CG ' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -126.07 179.55 5.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.305 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.441 ' O ' ' NE ' ' A' ' 24' ' ' ARG . 1.7 m-20 -40.83 146.23 0.16 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.542 1.151 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -115.87 -36.36 4.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.323 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -79.17 -30.71 43.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.413 ' HB2' ' CB ' ' A' ' 25' ' ' ASP . 1.3 mm-40 -83.45 -22.4 32.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.083 . . . . 0.0 110.294 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.648 ' CG ' ' CZ ' ' A' ' 24' ' ' ARG . 0.3 OUTLIER -110.88 -0.62 16.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 111.026 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 29' ' ' TYR . 0.9 OUTLIER -40.12 -32.65 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.413 ' N ' ' C ' ' A' ' 29' ' ' TYR . 5.0 mtp180 -79.1 -63.16 1.48 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 110.313 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.557 ' HB2' ' CD1' ' A' ' 29' ' ' TYR . 0.9 OUTLIER -61.54 165.74 4.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.277 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.862 ' HB3' ' HB3' ' A' ' 103' ' ' ALA . 1.6 t-80 -135.31 -140.33 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.532 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 1.046 HG21 ' HB3' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -155.02 162.35 27.42 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.088 . . . . 0.0 109.278 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.59 ' HG3' ' CD1' ' A' ' 95' ' ' TRP . 18.2 Cg_endo -75.07 -47.01 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.439 1.757 . . . . 0.0 111.026 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.493 ' O ' ' HB2' ' A' ' 37' ' ' ALA . 1.5 tt0 -152.19 92.19 1.68 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 110.275 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 1.046 ' HB3' HG21 ' A' ' 34' ' ' ILE . . . 176.02 -176.72 0.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.366 1.041 . . . . 0.0 109.366 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.457 ' CB ' HD11 ' A' ' 54' ' ' LEU . 0.1 OUTLIER -159.17 130.25 6.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 179.917 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.469 ' CD1' ' HD3' ' A' ' 41' ' ' PRO . 12.3 tp -40.02 145.14 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.885 ' O ' HG22 ' A' ' 23' ' ' ILE . . . 180.0 73.46 0.17 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 109.224 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.469 ' HD3' ' CD1' ' A' ' 39' ' ' LEU . 18.6 Cg_endo -75.04 160.9 39.48 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.516 1.798 . . . . 0.0 111.028 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.501 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -39.05 -34.76 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.573 1.17 . . . . 0.0 109.327 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.408 ' N ' ' HG ' ' A' ' 42' ' ' LEU . 38.8 p -57.14 -58.14 9.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 110.043 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 29.1 t -73.79 -32.66 35.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.113 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.415 ' HA ' HD23 ' A' ' 45' ' ' LEU . 15.8 mt -72.03 -14.39 61.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.501 ' CG ' ' O ' ' A' ' 42' ' ' LEU . 2.8 mm-40 -95.69 -45.19 7.12 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.51 1.131 . . . . 0.0 110.271 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -81.43 -28.03 34.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.209 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.68 -64.39 1.29 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.548 1.155 . . . . 0.0 110.04 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 51' ' ' PRO . . . 85.64 -170.02 43.63 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.456 1.097 . . . . 0.0 110.996 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 49' ' ' GLY . 13.9 tp -37.9 98.71 0.17 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.473 0.749 . . . . 0.0 109.26 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.441 ' N ' ' O ' ' A' ' 49' ' ' GLY . 18.3 Cg_endo -75.1 143.01 28.25 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.51 1.795 . . . . 0.0 110.95 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.38 -35.96 81.65 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.81 -19.88 60.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 0.0 109.253 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.457 HD11 ' CB ' ' A' ' 38' ' ' ASP . 1.6 mt -135.28 39.82 2.88 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.8 ttt85 -103.99 133.49 48.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.324 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 17' ' ' GLY . 3.0 t60 -142.87 -147.91 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.598 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -109.47 -16.71 13.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.276 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.402 ' HA ' ' O ' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -160.3 109.08 1.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.205 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.619 ' CG1' HD12 ' A' ' 85' ' ' ILE . 1.0 OUTLIER -107.33 -175.17 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.671 HD11 ' CD1' ' A' ' 13' ' ' LEU . 7.7 mt -140.68 173.13 10.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 109.228 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.605 ' H ' HG22 ' A' ' 60' ' ' ILE . 1.5 m-85 -136.69 134.14 36.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 111.055 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.446 ' CD2' ' HA ' ' A' ' 22' ' ' ASP . 0.0 OUTLIER -135.12 154.37 51.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.607 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -106.26 -169.61 1.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 108.256 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -66.57 -22.37 66.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 110.309 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -168.27 51.57 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 46.31 -163.5 0.13 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.465 1.103 . . . . 0.0 111.017 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.46 151.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 0.765 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 60.37 60.25 2.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.097 . . . . 0.0 110.312 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 92.0 m -119.14 -53.06 2.27 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.543 1.152 . . . . 0.0 110.44 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 28.0 t -55.16 -25.14 30.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.984 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -47.7 -50.13 25.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -144.04 54.25 1.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.243 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -83.63 -17.8 40.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.198 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.27 -55.1 5.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.601 1.188 . . . . 0.0 109.338 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.23 -42.12 39.47 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.429 ' HB3' ' CE2' ' A' ' 61' ' ' PHE . 83.1 mt -64.54 -43.58 93.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.118 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.59 -19.56 65.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.244 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -92.8 -9.5 40.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 109.364 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.5 mt -88.17 -29.6 5.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 109.293 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.8 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -115.34 38.48 3.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.142 . . . . 0.0 109.265 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.75 ' HB1' ' HA ' ' A' ' 82' ' ' PRO . . . -98.03 163.31 19.64 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.255 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.75 ' HA ' ' HB1' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -74.97 -0.94 17.38 Favored 'Cis proline' 0 C--N 1.361 1.185 0 C-N-CA 121.023 -2.491 . . . . 0.0 111.08 0.012 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.8 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -41.72 140.86 0.9 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.352 1.032 . . . . 0.0 109.276 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.402 ' O ' ' HA ' ' A' ' 58' ' ' GLN . 1.5 mt-10 -76.6 127.31 32.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.364 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.619 HD12 ' CG1' ' A' ' 59' ' ' ILE . 7.4 mm -113.7 154.42 15.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.589 1.18 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -134.58 -179.11 5.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 111.084 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.449 ' CG ' HD22 ' A' ' 2' ' ' LEU . 13.3 mt -112.99 151.25 30.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.477 HD22 ' CD1' ' A' ' 20' ' ' LEU . 51.9 tp -131.97 73.03 1.51 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -43.32 100.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 110.27 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 66.62 87.03 0.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.337 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 94' ' ' GLY . . . -73.53 -70.39 1.24 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.521 1.138 . . . . 0.0 111.073 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.6 tp -47.03 -38.8 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.462 0.742 . . . . 0.0 109.342 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.7 -31.11 46.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 91' ' ' GLY . . . -72.62 -30.47 64.1 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.501 1.126 . . . . 0.0 110.977 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.647 ' CZ3' HD13 ' A' ' 100' ' ' LEU . 32.1 t-105 -79.86 -39.08 31.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.04 0.35 45.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.259 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.98 -17.58 61.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.481 ' HB3' ' CD1' ' A' ' 100' ' ' LEU . . . -115.37 22.91 12.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 60.7 49.92 73.34 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.572 1.17 . . . . 0.0 111.022 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.647 HD13 ' CZ3' ' A' ' 95' ' ' TRP . 0.5 OUTLIER -133.48 99.25 14.51 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.506 0.768 . . . . 0.0 109.324 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 171.96 17.27 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.452 1.764 . . . . 0.0 111.056 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.461 HG12 ' HD3' ' A' ' 35' ' ' PRO . 35.2 m -84.03 -174.0 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.862 ' HB3' ' HB3' ' A' ' 33' ' ' HIS . . . -82.22 101.51 10.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.254 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.658 HG12 ' H ' ' A' ' 105' ' ' ASN . 2.0 t -96.65 179.69 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.658 ' H ' HG12 ' A' ' 104' ' ' VAL . 3.5 t-20 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.243 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.537 HD23 ' N ' ' A' ' 2' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.552 ' HB ' ' CE2' ' A' ' 86' ' ' PHE . 1.8 m -111.27 166.22 11.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.415 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.466 HG23 ' HA ' ' A' ' 89' ' ' GLU . 22.6 m -148.87 137.07 20.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.583 1.177 . . . . 0.0 110.397 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.603 HD11 HD11 ' A' ' 60' ' ' ILE . 1.3 pp -148.16 172.28 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.093 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.1 m -76.46 152.39 83.49 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.608 1.192 . . . . 0.0 110.014 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.749 ' HA ' ' HB3' ' A' ' 10' ' ' ALA . 18.7 Cg_endo -74.92 -19.87 17.63 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.517 1.799 . . . . 0.0 111.079 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.24 -30.63 71.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.588 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -103.24 -21.25 13.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.898 ' O ' HD12 ' A' ' 14' ' ' ILE . . . -69.11 -28.32 66.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.623 1.202 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.2 tm0? -76.09 -0.24 21.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.58 1.175 . . . . 0.0 110.261 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -98.57 -49.4 4.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.615 1.197 . . . . 0.0 110.242 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.605 HD21 ' HA ' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -64.4 -40.79 96.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.389 1.056 . . . . 0.0 109.332 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.898 HD12 ' O ' ' A' ' 10' ' ' ALA . 9.3 mt -61.59 -44.94 99.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.419 1.074 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.2 -9.34 58.31 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.577 1.173 . . . . 0.0 109.235 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -91.25 -22.65 20.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.245 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 156.51 -32.73 0.58 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.537 1.148 . . . . 0.0 111.027 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.802 ' HB3' ' HA ' ' A' ' 14' ' ' ILE . . . -46.19 121.59 3.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 0.752 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.91 160.84 21.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.277 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.629 HD23 ' HB2' ' A' ' 37' ' ' ALA . 0.5 OUTLIER -117.17 152.82 33.96 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.578 HG22 ' CB ' ' A' ' 61' ' ' PHE . 0.8 OUTLIER -135.39 156.48 38.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.429 ' OD2' ' NH1' ' A' ' 24' ' ' ARG . 0.2 OUTLIER -119.14 121.72 40.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 109.348 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.543 HD11 ' HA ' ' A' ' 63' ' ' CYS . 7.6 pt -110.73 54.48 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.429 ' NH1' ' OD2' ' A' ' 22' ' ' ASP . 0.0 OUTLIER -138.33 -179.08 5.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.342 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.22 -175.62 0.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 30' ' ' LEU . . . -111.02 -35.62 5.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.081 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -47.99 -45.8 31.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.407 ' CD ' ' CD ' ' A' ' 24' ' ' ARG . 13.7 pt-20 -66.8 -29.08 68.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.446 1.092 . . . . 0.0 110.279 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.422 ' HB2' ' NH2' ' A' ' 24' ' ' ARG . 4.3 t80 -82.54 -23.22 34.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 111.051 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.737 HD13 ' C ' ' A' ' 30' ' ' LEU . 1.3 tm? -52.76 -39.23 62.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -94.44 -71.24 0.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.326 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -81.37 167.23 19.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 110.28 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.885 ' HB3' ' HB3' ' A' ' 103' ' ' ALA . 5.3 t-160 -132.24 -143.66 0.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.579 1.174 . . . . 0.0 109.595 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.784 ' CG2' ' HB3' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -158.41 163.86 23.05 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.586 ' HG3' ' CD1' ' A' ' 95' ' ' TRP . 18.1 Cg_endo -75.08 85.38 1.54 Allowed 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.619 1.852 . . . . 0.0 110.882 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 64.66 99.87 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.621 1.201 . . . . 0.0 110.268 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.784 ' HB3' ' CG2' ' A' ' 34' ' ' ILE . . . -175.42 -172.54 0.57 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.577 1.173 . . . . 0.0 109.257 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.51 129.87 3.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.79 135.3 19.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -174.63 74.5 0.32 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 109.359 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.1 163.1 35.78 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.431 1.753 . . . . 0.0 110.923 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 46' ' ' GLU . 4.0 pp -40.59 -38.36 0.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.0 m -52.79 -61.66 2.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.989 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.418 ' O ' ' N ' ' A' ' 48' ' ' SER . 50.8 t -71.19 -35.14 57.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.2 mt -65.98 -17.71 64.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.207 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.746 ' HG2' HD11 ' A' ' 79' ' ' ILE . 3.8 mt-10 -104.22 -46.53 4.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.13 -35.1 69.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 110.282 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 44' ' ' VAL . 3.7 t -98.32 -59.37 1.76 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 109.969 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 94.49 171.72 37.92 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.401 1.063 . . . . 0.0 111.048 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.472 HD23 ' CB ' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -49.58 105.9 0.56 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.493 0.76 . . . . 0.0 109.288 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.43 ' HD2' HD13 ' A' ' 50' ' ' LEU . 18.1 Cg_endo -74.89 179.95 5.55 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.493 1.786 . . . . 0.0 111.021 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -102.3 -9.05 20.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -86.55 -15.28 40.44 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.601 1.188 . . . . 0.0 109.323 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.8 mt -135.94 41.61 2.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.5 ttt85 -100.05 154.48 18.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.266 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -173.03 -154.22 0.07 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.137 . . . . 0.0 109.633 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -95.07 -52.69 4.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.371 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -135.54 110.06 8.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.316 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.592 HD11 ' CD1' ' A' ' 85' ' ' ILE . 1.8 pt -93.1 139.77 17.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.856 HG21 HD11 ' A' ' 14' ' ' ILE . 8.0 tt -127.44 128.08 69.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.578 ' CB ' HG22 ' A' ' 21' ' ' ILE . 29.3 p90 -142.17 -169.53 2.96 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.547 1.155 . . . . 0.0 111.001 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.567 ' CE1' ' HB3' ' A' ' 88' ' ' LEU . 0.0 OUTLIER -146.33 164.49 32.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.607 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.543 ' HA ' HD11 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -75.51 -68.7 0.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 108.224 -179.886 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.592 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 1.7 tt0 -167.08 -68.41 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.462 1.101 . . . . 0.0 110.288 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.592 ' HB2' ' O ' ' A' ' 64' ' ' GLN . . . 169.64 82.57 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 177.77 176.24 45.62 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 43.5 tttm -76.25 71.82 2.98 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.466 0.745 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.53 80.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 110.323 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.537 HG21 ' HA ' ' A' ' 90' ' ' ASP . 40.6 p -119.01 -5.6 10.53 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.393 1.058 . . . . 0.0 110.417 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.413 ' C ' ' N ' ' A' ' 72' ' ' ASN . 0.6 OUTLIER -67.43 -52.29 41.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.572 1.17 . . . . 0.0 110.039 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 45.65 26.17 0.32 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.39 1.056 . . . . 0.0 109.28 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.413 ' N ' ' C ' ' A' ' 70' ' ' SER . 3.5 m-80 65.28 63.12 0.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.366 1.041 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -47.51 -33.21 6.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.193 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -49.11 -49.51 41.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 79' ' ' ILE . 0.4 OUTLIER -68.82 -48.46 63.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.546 1.154 . . . . 0.0 109.394 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 80' ' ' ALA . 97.0 mt -51.96 -42.48 62.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -53.81 -52.13 61.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.11 -29.48 65.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.234 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.746 HD11 ' HG2' ' A' ' 46' ' ' GLU . 0.1 OUTLIER -68.77 -36.02 72.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.919 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.941 ' CB ' HD11 ' A' ' 85' ' ' ILE . . . -110.73 40.28 2.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.34 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.753 ' HB1' ' HA ' ' A' ' 82' ' ' PRO . . . -99.02 163.49 18.63 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.753 ' HA ' ' HB1' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -75.0 -1.35 17.79 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.972 -2.512 . . . . 0.0 111.0 -0.021 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.492 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -49.91 157.29 0.62 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -92.67 150.56 20.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.247 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.941 HD11 ' CB ' ' A' ' 80' ' ' ALA . 35.3 mm -120.33 166.04 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.087 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.6 ' CD1' ' O ' ' A' ' 85' ' ' ILE . 16.1 m-85 -161.43 170.0 20.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.1 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 37.1 mt -120.69 157.54 29.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.682 HD12 ' HB3' ' A' ' 7' ' ' PRO . 0.0 OUTLIER -96.33 37.44 1.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.466 ' HA ' HG23 ' A' ' 4' ' ' THR . 4.3 tt0 81.7 -72.35 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 110.246 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.537 ' HA ' HG21 ' A' ' 69' ' ' THR . 0.8 OUTLIER 160.34 121.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 86.14 104.55 0.75 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.434 1.084 . . . . 0.0 111.003 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.476 HG22 ' CB ' ' A' ' 62' ' ' HIS . 1.9 pp -56.94 -24.66 20.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.507 0.769 . . . . 0.0 109.394 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 97' ' ' LYS . 0.5 OUTLIER -41.21 -29.84 0.14 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.093 . . . . 0.0 109.304 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.417 ' N ' ' C ' ' A' ' 92' ' ' ILE . . . -48.99 -33.76 14.36 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.348 1.03 . . . . 0.0 110.971 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.611 ' CD1' ' O ' ' A' ' 100' ' ' LEU . 36.4 t-105 -63.52 -65.07 0.73 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.2 ptmm? -61.24 -17.49 53.61 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.443 1.089 . . . . 0.0 109.269 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 93' ' ' ASP . 9.5 tmtt? -63.6 -13.29 40.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.574 ' HB3' HD12 ' A' ' 100' ' ' LEU . . . -112.13 23.62 13.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.416 1.073 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 62.46 41.0 99.81 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.54 1.15 . . . . 0.0 110.906 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.611 ' O ' ' CD1' ' A' ' 95' ' ' TRP . 1.8 mt -136.27 98.62 11.29 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.441 0.73 . . . . 0.0 109.257 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -176.09 2.7 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.478 1.778 . . . . 0.0 110.952 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.546 HG12 ' HD3' ' A' ' 35' ' ' PRO . 17.7 m -90.53 -177.43 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.885 ' HB3' ' HB3' ' A' ' 33' ' ' HIS . . . -82.93 104.87 13.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.409 1.068 . . . . 0.0 109.242 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -102.3 178.82 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.585 1.178 . . . . 0.0 109.222 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 22.3 m-20 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 109.279 -179.985 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.63 ' C ' HD12 ' A' ' 2' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.8 m -130.15 166.15 20.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 110.436 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.486 ' HB ' HD12 ' A' ' 87' ' ' LEU . 3.8 t -143.05 139.84 30.7 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.507 1.129 . . . . 0.0 110.44 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.2 pt -148.01 -176.51 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.428 1.08 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.42 161.63 78.15 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.547 1.154 . . . . 0.0 109.988 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.424 ' O ' ' N ' ' A' ' 11' ' ' GLN . 18.7 Cg_endo -74.89 -40.92 0.79 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.504 1.792 . . . . 0.0 111.064 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -54.16 -50.12 67.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.554 1.159 . . . . 0.0 109.621 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.99 -44.75 68.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.567 1.167 . . . . 0.0 109.328 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.475 ' O ' HD12 ' A' ' 14' ' ' ILE . . . -59.39 -25.96 64.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.224 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 7' ' ' PRO . 13.0 tp60 -72.49 -4.44 30.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 110.361 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -96.65 -31.73 12.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.18 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.472 ' N ' HD23 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -74.7 -49.87 19.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.152 . . . . 0.0 109.376 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.813 ' HA ' ' HB3' ' A' ' 18' ' ' ALA . 6.2 mt -61.56 -39.75 84.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.29 -4.42 39.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.599 1.187 . . . . 0.0 109.382 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -98.09 -19.38 17.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 110.336 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 152.44 -31.08 0.86 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.509 1.131 . . . . 0.0 111.004 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.813 ' HB3' ' HA ' ' A' ' 14' ' ' ILE . . . -46.43 139.73 4.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 109.341 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 1.012 ' HD3' HD23 ' A' ' 54' ' ' LEU . 0.2 OUTLIER -92.51 157.73 16.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.085 . . . . 0.0 109.249 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -128.43 123.52 33.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.602 HG23 ' HB3' ' A' ' 40' ' ' ALA . 3.2 mp -114.18 150.1 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.458 ' OD2' HD12 ' A' ' 34' ' ' ILE . 1.4 t0 -128.13 114.74 17.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.259 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.2 pt -89.77 42.57 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.532 ' HD3' ' CG ' ' A' ' 29' ' ' TYR . 4.5 ptp180 -98.16 -177.03 3.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.264 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.24 -171.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 109.273 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -106.13 -98.92 0.34 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.436 ' HA ' ' CB ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -68.4 -27.22 66.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -57.08 -40.84 77.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 110.318 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.532 ' CG ' ' HD3' ' A' ' 24' ' ' ARG . 0.4 OUTLIER -107.63 1.02 22.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 111.015 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.548 ' O ' HD12 ' A' ' 30' ' ' LEU . 2.1 tp -44.31 -25.61 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.911 ' O ' HG23 ' A' ' 104' ' ' VAL . 0.1 OUTLIER -44.55 -50.27 9.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.329 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.688 ' HB3' HG21 ' A' ' 102' ' ' VAL . 2.9 mm-40 -96.94 147.26 24.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 110.29 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.892 ' HB3' ' HB3' ' A' ' 103' ' ' ALA . 9.2 t60 -119.06 -13.02 9.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.578 1.174 . . . . 0.0 109.566 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.86 HG22 ' HB2' ' A' ' 37' ' ' ALA . 0.0 OUTLIER 56.9 156.24 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.52 ' HG3' ' CE2' ' A' ' 95' ' ' TRP . 18.3 Cg_endo -75.13 96.37 1.02 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.557 1.819 . . . . 0.0 110.965 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.419 ' HB3' ' O ' ' A' ' 35' ' ' PRO . 30.7 tt0 68.08 91.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.216 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.86 ' HB2' HG22 ' A' ' 34' ' ' ILE . . . -134.47 -174.71 3.65 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.733 ' CB ' HD21 ' A' ' 54' ' ' LEU . 0.4 OUTLIER -167.47 102.22 0.5 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 38' ' ' ASP . 0.2 OUTLIER -39.57 135.78 1.09 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.602 ' HB3' HG23 ' A' ' 21' ' ' ILE . . . -177.68 81.61 0.24 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.087 . . . . 0.0 109.322 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 42' ' ' LEU . 18.2 Cg_endo -75.07 148.38 34.95 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.43 1.753 . . . . 0.0 110.968 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 46' ' ' GLU . 0.9 OUTLIER -39.05 -41.06 0.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.095 . . . . 0.0 109.341 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -50.58 -60.76 2.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.978 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.503 ' O ' ' CB ' ' A' ' 48' ' ' SER . 57.8 t -69.68 -41.43 80.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.544 HD11 HG21 ' A' ' 21' ' ' ILE . 8.1 mt -57.95 -24.16 56.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 42' ' ' LEU . 2.5 mt-10 -95.62 -58.87 2.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.322 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.78 -24.62 62.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 110.28 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 44' ' ' VAL . 1.6 t -101.58 -48.49 4.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.564 1.165 . . . . 0.0 110.016 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 51' ' ' PRO . . . 85.9 177.46 50.12 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.552 1.158 . . . . 0.0 111.014 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 49' ' ' GLY . 1.7 tp -37.52 98.21 0.15 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.616 0.833 . . . . 0.0 109.309 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.447 ' N ' ' O ' ' A' ' 49' ' ' GLY . 18.2 Cg_endo -74.93 142.94 28.71 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.429 1.752 . . . . 0.0 110.967 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.94 -45.42 70.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.269 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.2 pttt -50.12 -23.34 2.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.419 1.074 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 1.012 HD23 ' HD3' ' A' ' 19' ' ' LYS . 2.5 mt -127.9 39.2 3.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 -111.35 131.03 55.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -159.59 -151.73 0.28 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.437 1.085 . . . . 0.0 109.635 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.78 -54.76 4.86 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.144 . . . . 0.0 110.324 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.514 ' HB3' ' CE2' ' A' ' 86' ' ' PHE . 1.8 mt-30 -135.34 119.06 17.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.603 1.189 . . . . 0.0 110.255 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.1 pt -100.33 179.0 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 109.263 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.447 ' CD1' ' HB2' ' A' ' 86' ' ' PHE . 21.5 mm -134.39 155.5 39.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.095 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.416 ' CZ ' HD13 ' A' ' 45' ' ' LEU . 1.9 m-85 -140.21 142.75 35.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 110.98 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.558 ' CE1' ' O ' ' A' ' 63' ' ' CYS . 0.0 OUTLIER -142.22 136.72 30.15 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 109.572 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.558 ' O ' ' CE1' ' A' ' 62' ' ' HIS . 0.1 OUTLIER -89.54 178.87 6.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 108.331 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -41.79 -59.61 1.63 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 110.278 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -141.38 59.32 1.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.253 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 41.89 -161.45 0.03 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.535 1.147 . . . . 0.0 111.015 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.15 61.35 2.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 0.787 . . . . 0.0 109.329 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.43 56.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.467 1.105 . . . . 0.0 110.274 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.586 HG21 HD22 ' A' ' 87' ' ' LEU . 1.9 p -120.35 -56.51 1.98 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.391 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 38.0 t -47.94 -32.25 6.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.974 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -47.03 -45.56 21.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -155.33 60.35 0.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.576 ' HB1' HD22 ' A' ' 2' ' ' LEU . . . -72.62 -34.81 67.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.71 -53.5 57.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.254 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.3 mmtm -51.22 -45.12 61.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 79.1 mt -61.7 -42.21 98.64 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.441 ' HA ' HD12 ' A' ' 85' ' ' ILE . . . -75.28 -5.03 42.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -117.92 11.95 13.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 2.9 mt -101.69 -34.07 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.832 ' HB3' HD11 ' A' ' 85' ' ' ILE . . . -123.85 48.71 1.84 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.754 ' HB1' ' HA ' ' A' ' 82' ' ' PRO . . . -102.88 163.63 17.18 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.754 ' HA ' ' HB1' ' A' ' 81' ' ' ALA . 18.1 Cg_endo -75.06 -0.64 17.48 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 120.978 -2.509 . . . . 0.0 110.957 0.057 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.682 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -41.42 159.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -88.56 153.7 20.93 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.597 1.185 . . . . 0.0 110.254 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.832 HD11 ' HB3' ' A' ' 80' ' ' ALA . 5.8 mt -144.59 154.56 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.566 ' CD1' ' O ' ' A' ' 85' ' ' ILE . 21.9 m-85 -145.29 147.04 31.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 111.064 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.586 HD22 HG21 ' A' ' 69' ' ' THR . 19.5 mt -82.67 159.11 22.71 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.4 1.063 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -122.51 91.34 3.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.596 1.185 . . . . 0.0 109.353 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -39.78 112.45 0.26 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.427 1.08 . . . . 0.0 110.298 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 60.8 116.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -75.04 -98.33 0.11 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.512 1.132 . . . . 0.0 110.932 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 10.9 mm -54.36 -55.09 16.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.485 0.756 . . . . 0.0 109.29 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.41 -26.77 8.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -75.98 -49.88 8.26 Favored Glycine 0 CA--C 1.529 0.914 0 O-C-N 124.563 1.164 . . . . 0.0 111.061 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.52 ' CE2' ' HG3' ' A' ' 35' ' ' PRO . 46.7 t-105 -67.89 -37.75 82.16 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.14 0.5 44.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.573 1.171 . . . . 0.0 109.279 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -14.43 42.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.918 ' HB3' HD12 ' A' ' 100' ' ' LEU . . . -126.92 27.35 6.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.455 1.097 . . . . 0.0 109.341 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 55.52 44.96 85.64 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.47 1.106 . . . . 0.0 110.995 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.918 HD12 ' HB3' ' A' ' 98' ' ' ALA . 2.6 mt -111.0 111.82 55.99 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.452 0.736 . . . . 0.0 109.367 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 160.75 39.81 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.456 1.766 . . . . 0.0 110.986 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.688 HG21 ' HB3' ' A' ' 32' ' ' GLU . 18.7 m -91.37 -163.36 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.892 ' HB3' ' HB3' ' A' ' 33' ' ' HIS . . . -96.99 73.4 2.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.911 HG23 ' O ' ' A' ' 31' ' ' ARG . 4.2 p -83.91 -143.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.59 1.181 . . . . 0.0 109.263 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.776 ' N ' HG13 ' A' ' 104' ' ' VAL . 4.3 m-20 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.561 HD13 ' HB ' ' A' ' 85' ' ' ILE . 5.4 mt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.948 HG21 ' CE2' ' A' ' 86' ' ' PHE . 13.4 m -146.6 171.02 15.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.378 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.426 HG22 ' N ' ' A' ' 5' ' ' ILE . 8.4 m -140.56 166.08 25.7 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 0.0 110.493 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.426 ' N ' HG22 ' A' ' 4' ' ' THR . 5.3 tt -173.0 171.48 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -110.05 152.52 43.13 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.012 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 82.66 1.96 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.505 1.792 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -167.76 -51.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.582 1.176 . . . . 0.0 109.598 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.92 -26.58 15.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.562 ' HA ' HD21 ' A' ' 13' ' ' LEU . . . -61.26 -24.14 66.16 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.447 1.092 . . . . 0.0 109.247 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -77.05 -0.39 24.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.243 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -101.11 -48.19 4.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.354 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.562 HD21 ' HA ' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -66.95 -34.81 78.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.265 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.862 ' HA ' ' HB3' ' A' ' 18' ' ' ALA . 49.7 mt -65.95 -46.97 86.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.38 -6.61 44.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.218 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.3 mtp-105 -95.21 -21.98 18.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 165.36 -44.15 0.29 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.492 1.12 . . . . 0.0 110.965 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.862 ' HB3' ' HA ' ' A' ' 14' ' ' ILE . . . -43.44 125.97 4.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 0.0 109.28 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.95 152.78 18.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.769 HD12 ' CG2' ' A' ' 60' ' ' ILE . 0.5 OUTLIER -119.16 118.42 31.31 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.445 1.091 . . . . 0.0 109.293 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.5 mp -103.43 146.29 11.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.322 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.85 108.99 17.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.437 HG22 ' HA ' ' A' ' 41' ' ' PRO . 8.8 pt -105.19 49.83 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.1 ptt180 -117.48 -176.0 2.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.43 1.081 . . . . 0.0 110.301 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.02 151.02 19.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' A' ' 29' ' ' TYR . . . -77.53 -44.21 29.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.267 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -52.28 -28.39 18.73 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 109.374 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -73.05 -26.97 61.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.28 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.404 ' N ' ' O ' ' A' ' 26' ' ' ALA . 34.9 t80 -91.09 -19.03 23.58 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 tp -50.35 -40.53 49.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.2 mtm180 -101.56 -73.4 0.65 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.753 ' HB3' HG21 ' A' ' 102' ' ' VAL . 35.9 mt-10 -57.9 155.75 10.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.444 1.09 . . . . 0.0 110.304 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.466 ' O ' ' C ' ' A' ' 34' ' ' ILE . 2.8 t60 -164.86 85.14 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.568 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.856 HG23 ' HD2' ' A' ' 35' ' ' PRO . 52.6 mt -35.98 145.64 0.22 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.545 1.153 . . . . 0.0 109.262 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.856 ' HD2' HG23 ' A' ' 34' ' ' ILE . 18.2 Cg_endo -75.0 27.67 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.47 1.774 . . . . 0.0 110.949 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.509 ' H ' ' C ' ' A' ' 34' ' ' ILE . 2.6 tt0 173.12 76.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.276 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -163.43 176.02 10.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -162.25 120.03 2.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.597 HD13 ' HD3' ' A' ' 41' ' ' PRO . 0.2 OUTLIER -47.18 138.04 7.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.546 ' HB2' ' O ' ' A' ' 39' ' ' LEU . . . 173.33 79.54 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.597 ' HD3' HD13 ' A' ' 39' ' ' LEU . 18.1 Cg_endo -75.04 151.71 39.69 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.55 1.816 . . . . 0.0 110.961 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 46' ' ' GLU . 0.8 OUTLIER -41.45 -40.19 1.71 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.373 1.046 . . . . 0.0 109.278 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.409 ' N ' ' HG ' ' A' ' 42' ' ' LEU . 2.7 m -51.65 -56.55 13.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 110.031 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.488 ' O ' ' CB ' ' A' ' 48' ' ' SER . 61.8 t -72.08 -43.7 66.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.481 HD12 ' O ' ' A' ' 40' ' ' ALA . 6.5 mt -58.7 -21.09 53.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.356 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 42' ' ' LEU . 2.3 mt-10 -86.18 -63.89 1.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.282 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.94 -19.79 63.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.412 1.07 . . . . 0.0 110.26 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 44' ' ' VAL . 8.4 t -100.68 -44.77 5.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.981 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 51' ' ' PRO . . . 84.1 146.04 7.17 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.432 1.082 . . . . 0.0 111.035 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 49' ' ' GLY . 4.6 tp -37.84 98.72 0.17 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.536 0.786 . . . . 0.0 109.287 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.441 ' N ' ' O ' ' A' ' 49' ' ' GLY . 18.2 Cg_endo -75.03 158.67 41.97 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.484 1.781 . . . . 0.0 111.066 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.54 -36.8 71.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.297 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.01 -22.32 10.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.7 mt -131.43 39.87 3.47 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.556 1.16 . . . . 0.0 109.249 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.6 ttt180 -115.06 134.45 55.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 110.407 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -150.43 -165.57 2.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.589 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -81.39 -51.73 8.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.417 1.073 . . . . 0.0 110.312 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -141.51 91.45 2.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -86.73 172.51 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.769 ' CG2' HD12 ' A' ' 20' ' ' LEU . 10.7 tt -120.36 169.73 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.512 ' CE2' HD22 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -140.14 160.71 39.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.4 1.062 . . . . 0.0 110.979 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.623 ' CD2' HD21 ' A' ' 20' ' ' LEU . 2.6 p80 -172.93 152.39 2.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.59 1.181 . . . . 0.0 109.605 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 20.2 p -106.53 -157.27 0.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 108.273 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -41.05 -52.65 3.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.31 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -163.92 58.83 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 37.95 92.13 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 110.964 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.79 68.15 1.5 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.412 0.713 . . . . 0.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 73.07 99.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 48.7 p -115.76 -35.23 4.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 110.464 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.0 t -56.73 -19.35 16.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.972 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -52.9 -45.94 67.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -146.15 55.22 1.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.348 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.492 ' HB1' HD21 ' A' ' 87' ' ' LEU . . . -88.36 -30.56 19.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.75 -36.63 26.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.51 -37.8 85.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.512 HD22 ' CE2' ' A' ' 61' ' ' PHE . 82.6 mt -61.45 -43.92 98.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.347 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.571 ' O ' ' HB2' ' A' ' 81' ' ' ALA . . . -55.26 -50.38 69.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.18 -26.81 66.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.226 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -72.47 -32.55 42.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.317 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.608 ' CB ' HD11 ' A' ' 85' ' ' ILE . . . -124.19 48.78 1.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.754 ' HB1' ' HA ' ' A' ' 82' ' ' PRO . . . -105.84 163.48 16.98 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.754 ' HA ' ' HB1' ' A' ' 81' ' ' ALA . 17.9 Cg_endo -75.09 -4.68 21.02 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 120.95 -2.521 . . . . 0.0 111.001 0.131 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -41.79 139.8 1.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.397 1.06 . . . . 0.0 109.234 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.41 ' O ' HD13 ' A' ' 85' ' ' ILE . 1.8 mt-10 -77.16 136.99 38.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 110.274 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.608 HD11 ' CB ' ' A' ' 80' ' ' ALA . 10.9 mm -118.41 156.31 20.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.633 1.208 . . . . 0.0 109.256 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.948 ' CE2' HG21 ' A' ' 3' ' ' THR . 6.2 m-85 -135.85 166.83 22.39 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.467 1.104 . . . . 0.0 110.98 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.492 HD21 ' HB1' ' A' ' 73' ' ' ALA . 7.6 mt -115.57 150.5 36.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.24 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 89' ' ' GLU . 12.5 tp -121.08 115.78 23.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 88' ' ' LEU . 0.5 OUTLIER -38.15 -40.62 0.52 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.457 ' CB ' ' HB3' ' A' ' 93' ' ' ASP . 1.1 m-20 -157.79 134.34 9.73 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.495 1.122 . . . . 0.0 109.225 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.4 ' HA2' HD23 ' A' ' 88' ' ' LEU . . . -80.92 -83.25 0.76 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.478 1.111 . . . . 0.0 110.929 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.592 ' CD1' HG11 ' A' ' 102' ' ' VAL . 6.5 mm -55.17 -43.18 69.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.463 0.743 . . . . 0.0 109.287 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.457 ' HB3' ' CB ' ' A' ' 90' ' ' ASP . 0.8 OUTLIER -63.73 -12.93 39.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 109.27 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.453 ' O ' ' CB ' ' A' ' 97' ' ' LYS . . . -81.78 -55.73 3.1 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.615 1.197 . . . . 0.0 111.033 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.819 ' O ' HD12 ' A' ' 100' ' ' LEU . 29.5 t-105 -65.62 -39.97 92.07 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.445 ' CG ' ' HA ' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -78.29 0.11 26.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.336 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.453 ' CB ' ' O ' ' A' ' 94' ' ' GLY . 3.2 tptm -62.43 -21.21 65.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 1.075 ' HB3' ' CD1' ' A' ' 100' ' ' LEU . . . -120.49 28.48 7.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.597 1.185 . . . . 0.0 109.236 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 61.33 35.54 91.11 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.578 1.174 . . . . 0.0 110.988 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 1.075 ' CD1' ' HB3' ' A' ' 98' ' ' ALA . 0.2 OUTLIER -108.72 110.05 61.25 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.449 0.735 . . . . 0.0 109.349 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.429 ' O ' ' NE1' ' A' ' 95' ' ' TRP . 18.4 Cg_endo -74.94 156.01 43.26 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.475 1.776 . . . . 0.0 111.013 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.753 HG21 ' HB3' ' A' ' 32' ' ' GLU . 17.0 m -76.4 -179.08 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.595 1.185 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 33' ' ' HIS . . . -79.37 79.26 5.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.661 HG22 HG23 ' A' ' 102' ' ' VAL . 1.6 t -91.16 170.14 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.434 1.083 . . . . 0.0 109.345 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.424 ' H ' HG12 ' A' ' 104' ' ' VAL . 6.1 p30 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.375 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.568 ' HB ' ' CE2' ' A' ' 86' ' ' PHE . 1.6 m -127.78 165.33 20.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.37 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.539 ' O ' HG23 ' A' ' 5' ' ' ILE . 1.8 m -124.2 153.29 41.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.419 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.539 HG23 ' O ' ' A' ' 4' ' ' THR . 2.3 pp -154.5 -172.6 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.591 1.182 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -97.31 152.87 38.49 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.077 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.478 ' CB ' ' HA3' ' A' ' 94' ' ' GLY . 18.0 Cg_endo -74.98 -51.49 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.465 1.771 . . . . 0.0 110.937 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -47.76 -32.86 6.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.415 1.072 . . . . 0.0 109.611 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.8 -34.17 21.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 109.369 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.884 ' O ' HD12 ' A' ' 14' ' ' ILE . . . -62.04 -27.87 69.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.195 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.5 tm0? -76.42 -0.3 22.31 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.601 1.188 . . . . 0.0 110.325 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -104.79 -32.49 8.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.374 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.608 ' N ' HD23 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -76.76 -44.32 33.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.15 . . . . 0.0 109.29 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.884 HD12 ' O ' ' A' ' 10' ' ' ALA . 6.0 mt -64.2 -38.5 82.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.79 -7.88 58.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.415 1.072 . . . . 0.0 109.238 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.12 -22.78 18.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 110.263 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 151.52 -23.5 0.95 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.482 ' HB3' ' HA ' ' A' ' 14' ' ' ILE . . . -56.23 146.86 22.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 0.753 . . . . 0.0 109.305 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.449 ' HD2' HD23 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -111.91 161.38 16.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.761 HD12 ' HB ' ' A' ' 60' ' ' ILE . 0.5 OUTLIER -126.57 152.57 46.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 109.255 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.888 ' CG2' ' HB3' ' A' ' 40' ' ' ALA . 16.9 mm -139.78 115.86 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.429 1.081 . . . . 0.0 109.353 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.479 ' OD2' ' HB1' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -90.6 147.55 23.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.438 HD12 ' O ' ' A' ' 23' ' ' ILE . 1.1 pp -106.67 46.21 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.4 ptp180 -105.7 -174.3 2.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 110.353 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -76.59 -173.97 2.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.133 . . . . 0.0 109.326 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 29' ' ' TYR . . . -91.73 -61.33 1.66 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -42.11 -45.75 4.08 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.409 ' O ' ' O ' ' A' ' 32' ' ' GLU . 1.6 mt-10 -51.88 -42.95 63.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.356 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.443 ' N ' ' O ' ' A' ' 26' ' ' ALA . 9.7 t80 -78.35 -24.13 46.6 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.449 1.093 . . . . 0.0 111.023 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.739 HD23 ' O ' ' A' ' 30' ' ' LEU . 5.7 tt -44.41 -31.35 1.04 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.231 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.44 -86.78 0.62 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 110.224 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.467 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 1.7 pm0 -92.86 155.03 17.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.299 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.591 ' NE2' ' HB3' ' A' ' 103' ' ' ALA . 2.3 p-80 -156.0 -104.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 109.523 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.949 HG22 ' HB3' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -149.43 163.63 24.31 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.239 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.553 ' HG3' ' CE2' ' A' ' 95' ' ' TRP . 18.4 Cg_endo -75.0 93.13 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.54 1.811 . . . . 0.0 111.034 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.43 ' CB ' ' O ' ' A' ' 35' ' ' PRO . 27.1 tt0 80.97 76.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.252 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.949 ' HB3' HG22 ' A' ' 34' ' ' ILE . . . -171.17 169.15 6.56 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.533 1.146 . . . . 0.0 109.205 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -147.83 123.44 10.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.576 HD22 ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -41.43 137.35 1.52 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.888 ' HB3' ' CG2' ' A' ' 21' ' ' ILE . . . -163.89 78.35 1.58 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 42' ' ' LEU . 18.3 Cg_endo -75.14 162.01 37.45 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.411 1.742 . . . . 0.0 111.007 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.503 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 2.0 pp -38.21 -36.09 0.2 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.587 1.179 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.9 -58.72 6.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.62 1.2 . . . . 0.0 110.021 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.511 ' O ' ' CB ' ' A' ' 48' ' ' SER . 0.9 OUTLIER -72.09 -41.06 67.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.433 HD11 ' CZ ' ' A' ' 61' ' ' PHE . 39.2 mt -63.99 -14.0 50.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' A' ' 42' ' ' LEU . 3.4 mm-40 -99.71 -63.01 1.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.607 1.192 . . . . 0.0 110.337 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -42.55 85.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.339 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.511 ' CB ' ' O ' ' A' ' 44' ' ' VAL . 0.8 OUTLIER -82.5 -55.86 4.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.397 1.061 . . . . 0.0 109.999 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 51' ' ' PRO . . . 81.95 166.46 37.62 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.451 1.095 . . . . 0.0 111.033 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.585 HD12 ' HA ' ' A' ' 80' ' ' ALA . 1.3 tt -37.91 98.51 0.16 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.583 0.814 . . . . 0.0 109.301 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.437 ' N ' ' O ' ' A' ' 49' ' ' GLY . 18.6 Cg_endo -74.91 135.89 19.87 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.535 1.808 . . . . 0.0 111.047 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.81 -42.99 85.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.376 1.048 . . . . 0.0 109.26 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.36 -22.31 2.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.449 HD23 ' HD2' ' A' ' 19' ' ' LYS . 2.8 mt -131.23 39.56 3.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.42 ' NH2' ' HD2' ' A' ' 82' ' ' PRO . 41.2 ttt180 -112.15 134.72 53.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 110.223 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -142.02 -163.34 1.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.618 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.39 -58.59 2.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 110.283 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.549 ' CD ' ' CE1' ' A' ' 86' ' ' PHE . 14.0 tt0 -128.0 100.83 6.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 110.319 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.1 pt -95.85 176.31 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.761 ' HB ' HD12 ' A' ' 20' ' ' LEU . 64.9 mt -133.53 162.08 40.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.366 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.515 ' CD1' ' O ' ' A' ' 21' ' ' ILE . 1.0 OUTLIER -139.12 143.67 38.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.422 1.076 . . . . 0.0 111.014 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -140.53 131.99 26.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 109.581 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.698 ' SG ' HG22 ' A' ' 69' ' ' THR . 86.6 m -81.5 -72.26 0.44 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.118 . . . . 0.0 108.276 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -170.65 -42.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.321 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -160.39 48.98 0.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.06 -71.66 1.94 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.504 1.128 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 60.07 -93.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 0.755 . . . . 0.0 109.242 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.32 86.67 0.26 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.499 1.124 . . . . 0.0 110.284 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.698 HG22 ' SG ' ' A' ' 63' ' ' CYS . 52.1 p -91.26 -27.64 18.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 110.453 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 48.3 t -64.86 -18.81 65.49 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.111 . . . . 0.0 110.061 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.439 ' O ' ' ND2' ' A' ' 72' ' ' ASN . 28.4 t30 -52.92 -43.3 66.15 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.494 1.121 . . . . 0.0 109.21 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 71' ' ' ASN . 18.5 m120 -151.18 57.35 0.9 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.428 1.08 . . . . 0.0 109.244 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -82.45 -15.78 51.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.595 1.184 . . . . 0.0 109.325 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -75.97 -36.91 59.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.405 1.066 . . . . 0.0 109.325 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -65.39 -47.7 75.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.345 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 85.5 mt -59.6 -42.86 93.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.558 ' O ' ' HB2' ' A' ' 81' ' ' ALA . . . -65.29 -27.06 68.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.58 1.175 . . . . 0.0 109.258 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -89.47 -20.15 24.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.279 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.444 ' N ' ' O ' ' A' ' 75' ' ' LYS . 0.1 OUTLIER -75.34 -40.01 42.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.963 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -107.85 37.75 2.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.763 ' HB1' ' HA ' ' A' ' 82' ' ' PRO . . . -95.75 163.51 21.07 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.763 ' HA ' ' HB1' ' A' ' 81' ' ' ALA . 17.9 Cg_endo -74.99 0.3 16.59 Favored 'Cis proline' 0 C--N 1.36 1.178 0 C-N-CA 121.044 -2.482 . . . . 0.0 110.931 0.061 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.963 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -39.86 141.75 0.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.423 1.077 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -80.8 117.37 21.4 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.517 1.136 . . . . 0.0 110.334 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.9 mm -104.57 154.19 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.568 ' CE2' ' HB ' ' A' ' 3' ' ' THR . 8.2 m-85 -142.04 161.76 37.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 111.032 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -125.24 150.49 46.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.074 . . . . 0.0 109.353 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.25 146.88 50.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.418 ' HB3' ' CG2' ' A' ' 4' ' ' THR . 0.0 OUTLIER -76.52 60.55 1.63 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 110.342 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 62.18 139.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 67.67 108.11 0.02 OUTLIER Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.486 1.117 . . . . 0.0 111.039 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.819 ' O ' HD12 ' A' ' 92' ' ' ILE . 0.6 OUTLIER -73.39 -4.79 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 0.753 . . . . 0.0 109.329 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.514 ' O ' ' N ' ' A' ' 95' ' ' TRP . 11.6 m-20 -40.22 -90.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.378 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.478 ' HA3' ' CB ' ' A' ' 7' ' ' PRO . . . 33.71 -92.62 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.573 1.171 . . . . 0.0 110.926 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.594 ' CZ2' ' HB3' ' A' ' 100' ' ' LEU . 15.8 t-105 -39.28 -71.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.498 ' CG ' ' HA ' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -52.56 -32.04 38.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 94' ' ' GLY . 15.9 tttm -56.26 -23.34 35.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.824 ' HB3' HD12 ' A' ' 100' ' ' LEU . . . -90.01 12.27 18.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 67.2 47.81 62.32 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.451 1.095 . . . . 0.0 111.038 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.824 HD12 ' HB3' ' A' ' 98' ' ' ALA . 0.8 OUTLIER -137.46 118.25 10.63 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.495 0.762 . . . . 0.0 109.269 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 172.96 15.35 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.488 1.783 . . . . 0.0 111.008 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.467 ' CG2' ' HB2' ' A' ' 32' ' ' GLU . 15.6 m -79.85 -178.24 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.595 1.185 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.591 ' HB3' ' NE2' ' A' ' 33' ' ' HIS . . . -80.17 115.85 19.95 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.621 HG12 ' H ' ' A' ' 105' ' ' ASN . 1.1 t -113.82 -172.15 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.435 1.084 . . . . 0.0 109.299 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.621 ' H ' HG12 ' A' ' 104' ' ' VAL . 24.3 t30 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 109.248 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.615 HD11 ' HA ' ' A' ' 74' ' ' ASP . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.564 ' HB ' ' CD2' ' A' ' 86' ' ' PHE . 2.2 m -132.8 166.39 22.37 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.575 1.172 . . . . 0.0 110.401 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.5 t -160.43 145.26 14.5 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.12 . . . . 0.0 110.459 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 29.2 pt -147.03 -171.61 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.242 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.8 p -94.57 157.69 36.71 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.002 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 60.3 5.47 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.473 1.775 . . . . 0.0 110.983 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -140.56 -47.24 0.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.55 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.84 -28.99 16.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.83 -23.85 65.4 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.418 1.074 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.32 -3.74 35.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -96.13 -29.66 13.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.561 1.163 . . . . 0.0 110.256 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.443 ' N ' HD23 ' A' ' 13' ' ' LEU . 0.5 OUTLIER -79.13 -43.53 23.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.598 1.186 . . . . 0.0 109.314 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.407 ' HA ' ' O ' ' A' ' 18' ' ' ALA . 20.4 mm -65.02 -38.44 82.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.229 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.11 -3.04 47.14 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 109.393 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.85 -20.73 19.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.258 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 146.12 -17.14 1.73 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.446 1.091 . . . . 0.0 110.985 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.407 ' O ' ' HA ' ' A' ' 14' ' ' ILE . . . -66.38 144.6 56.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 0.774 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.498 ' CD ' HD23 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -92.04 167.03 12.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.372 179.902 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.541 HD23 ' HB2' ' A' ' 37' ' ' ALA . 0.9 OUTLIER -131.61 129.07 40.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.639 HD12 HD11 ' A' ' 59' ' ' ILE . 16.7 mt -132.49 155.73 41.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.434 1.084 . . . . 0.0 109.29 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -148.13 147.44 29.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 25.4 pt -94.74 43.21 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 -63.34 -178.46 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 110.276 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.424 ' CG ' ' N ' ' A' ' 26' ' ' ALA . 10.1 t70 -100.24 168.42 9.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.282 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.424 ' N ' ' CG ' ' A' ' 25' ' ' ASP . . . -68.16 -61.62 1.77 Allowed 'General case' 0 C--N 1.323 -0.582 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.411 ' N ' ' OD1' ' A' ' 25' ' ' ASP . 0.0 OUTLIER -54.09 -26.65 28.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -78.15 -14.36 59.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.227 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -104.63 -2.44 25.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.7 tp -62.3 -56.32 19.67 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -89.93 -64.42 1.14 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 110.327 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.929 ' HB3' HG21 ' A' ' 102' ' ' VAL . 46.3 mt-10 -76.4 155.45 34.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.318 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.804 ' HB2' ' HB3' ' A' ' 103' ' ' ALA . 79.2 m-70 -141.49 15.66 2.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.67 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.755 ' CG2' ' HB3' ' A' ' 37' ' ' ALA . 0.0 OUTLIER 55.39 163.63 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.605 ' HG3' ' CD1' ' A' ' 95' ' ' TRP . 18.3 Cg_endo -75.0 101.03 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.554 1.818 . . . . 0.0 111.034 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.442 ' O ' ' O ' ' A' ' 35' ' ' PRO . 2.8 tp10 42.41 96.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.582 1.176 . . . . 0.0 110.318 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.755 ' HB3' ' CG2' ' A' ' 34' ' ' ILE . . . -160.75 -174.07 4.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -150.36 125.99 10.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.78 143.34 42.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.471 ' HB3' ' CG2' ' A' ' 21' ' ' ILE . . . -169.83 69.52 0.62 Allowed Pre-proline 0 C--N 1.323 -0.55 0 O-C-N 124.534 1.146 . . . . 0.0 109.363 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 42' ' ' LEU . 17.9 Cg_endo -75.08 159.03 41.56 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.578 1.831 . . . . 0.0 110.954 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 46' ' ' GLU . 1.4 pp -39.53 -37.63 0.5 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.67 -54.5 40.84 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.503 1.127 . . . . 0.0 109.928 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 48' ' ' SER . 73.6 t -74.35 -36.96 44.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.528 HD22 ' CG2' ' A' ' 79' ' ' ILE . 10.2 mt -66.59 -17.03 64.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.221 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 42' ' ' LEU . 2.1 mt-10 -100.43 -42.85 6.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.148 . . . . 0.0 110.244 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.81 -26.36 54.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.428 1.08 . . . . 0.0 110.235 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -124.48 -63.74 1.17 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.145 . . . . 0.0 109.959 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 51' ' ' PRO . . . 95.03 179.25 37.31 Favored Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.441 1.088 . . . . 0.0 111.023 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.673 HD21 ' HG3' ' A' ' 55' ' ' ARG . 6.5 tp -38.01 98.7 0.17 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.478 0.752 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.439 ' N ' ' O ' ' A' ' 49' ' ' GLY . 18.2 Cg_endo -75.04 131.19 13.96 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.492 1.785 . . . . 0.0 110.965 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.17 -40.42 70.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.357 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.41 -22.94 2.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.498 HD23 ' CD ' ' A' ' 19' ' ' LYS . 2.8 mt -130.27 39.71 3.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.673 ' HG3' HD21 ' A' ' 50' ' ' LEU . 19.8 ttt180 -123.18 143.74 49.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.244 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -162.36 -161.32 0.73 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.623 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -57.18 -48.94 77.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.327 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -144.74 148.38 34.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 110.301 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.639 HD11 HD12 ' A' ' 21' ' ' ILE . 11.3 tt -144.45 164.46 13.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.363 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.525 HG22 ' HA ' ' A' ' 20' ' ' LEU . 1.2 tt -111.26 -174.82 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.573 ' CE1' HG22 ' A' ' 21' ' ' ILE . 0.5 OUTLIER -173.12 144.08 1.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.647 ' NE2' HD23 ' A' ' 88' ' ' LEU . 0.2 OUTLIER -113.31 -175.28 2.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.578 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.744 ' CB ' HG22 ' A' ' 69' ' ' THR . 24.3 t -156.05 69.94 0.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 0.0 108.355 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.408 ' CB ' ' O ' ' A' ' 63' ' ' CYS . 0.0 OUTLIER 80.05 -70.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -170.01 65.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 39.55 72.01 0.24 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.539 1.149 . . . . 0.0 111.012 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.43 -85.78 0.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 0.771 . . . . 0.0 109.253 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.92 72.04 1.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 110.296 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.744 HG22 ' CB ' ' A' ' 63' ' ' CYS . 23.3 p -66.42 -33.51 75.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.446 1.091 . . . . 0.0 110.367 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.4 t -44.38 -29.74 0.73 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 110.072 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -51.01 -63.7 1.04 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 0.0 109.218 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -130.81 47.36 2.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.632 ' HB2' ' O ' ' A' ' 69' ' ' THR . . . -94.08 -11.59 30.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.384 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.615 ' HA ' HD11 ' A' ' 2' ' ' LEU . 0.5 OUTLIER -74.88 -43.38 54.71 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.467 ' CG ' ' N ' ' A' ' 76' ' ' LEU . 37.4 pttt -62.1 -51.96 65.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.467 ' N ' ' CG ' ' A' ' 75' ' ' LYS . 81.0 mt -44.82 -48.7 11.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.423 1.077 . . . . 0.0 109.332 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.83 -59.29 5.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.84 -36.62 65.23 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.552 1.157 . . . . 0.0 109.228 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.528 ' CG2' HD22 ' A' ' 45' ' ' LEU . 8.9 mt -63.46 -27.93 43.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.281 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.694 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -117.79 42.02 2.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.856 ' HB1' ' HA ' ' A' ' 82' ' ' PRO . . . -134.61 166.06 32.03 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.856 ' HA ' ' HB1' ' A' ' 81' ' ' ALA . 18.0 Cg_endo -75.13 117.08 4.45 Favored 'Cis proline' 0 C--N 1.359 1.13 0 C-N-CA 121.008 -2.497 . . . . 0.0 110.941 0.109 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.694 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -161.92 160.06 27.41 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.365 1.041 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -81.33 93.72 6.61 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.525 HG13 ' HB3' ' A' ' 80' ' ' ALA . 13.1 mm -101.05 158.72 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.343 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.564 ' CD2' ' HB ' ' A' ' 3' ' ' THR . 48.0 m-85 -148.01 155.84 41.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.595 HD11 HD23 ' A' ' 2' ' ' LEU . 0.2 OUTLIER -118.6 148.52 42.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.312 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.647 HD23 ' NE2' ' A' ' 62' ' ' HIS . 10.0 tp -114.85 65.93 0.68 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.536 1.147 . . . . 0.0 109.356 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -69.18 75.49 0.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.299 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -159.41 130.1 5.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 93' ' ' ASP . . . -37.01 105.68 0.04 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.548 1.155 . . . . 0.0 110.947 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.433 ' C ' ' O ' ' A' ' 91' ' ' GLY . 3.3 tp -37.73 -32.93 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.44 0.729 . . . . 0.0 109.209 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 91' ' ' GLY . 1.5 m-20 -40.85 -30.83 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.344 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.428 ' N ' ' C ' ' A' ' 92' ' ' ILE . . . -45.41 -45.45 11.42 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.627 1.204 . . . . 0.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.605 ' CD1' ' HG3' ' A' ' 35' ' ' PRO . 37.6 t-105 -48.42 -70.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.2 tttt -55.15 -27.57 46.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.261 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -56.4 -18.15 10.22 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.703 ' HB3' HD12 ' A' ' 100' ' ' LEU . . . -106.39 22.93 14.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 59.07 45.16 95.67 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.451 1.094 . . . . 0.0 111.04 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.703 HD12 ' HB3' ' A' ' 98' ' ' ALA . 1.2 mt -137.95 105.42 8.1 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.523 0.778 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 174.65 12.43 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.517 1.798 . . . . 0.0 111.013 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.929 HG21 ' HB3' ' A' ' 32' ' ' GLU . 20.7 m -81.04 -172.7 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.439 1.087 . . . . 0.0 109.374 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.804 ' HB3' ' HB2' ' A' ' 33' ' ' HIS . . . -83.46 77.02 9.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.574 1.171 . . . . 0.0 109.347 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.623 HG12 ' H ' ' A' ' 105' ' ' ASN . 3.1 t -83.66 174.46 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.623 ' H ' HG12 ' A' ' 104' ' ' VAL . 33.6 m-80 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.418 1.074 . . . . 0.0 109.356 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.827 HD13 ' N ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.368 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.528 ' HB ' ' CD1' ' A' ' 86' ' ' PHE . 3.9 m -89.82 169.37 11.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.373 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.463 HG22 ' H ' ' A' ' 5' ' ' ILE . 85.1 m -111.3 172.62 6.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.364 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.918 HD13 HD11 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -172.65 177.6 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.516 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 0.6 OUTLIER 162.38 -51.4 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.927 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 6' ' ' SER . 18.3 Cg_endo -74.94 -163.35 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.447 1.762 . . . . 0.0 110.939 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.4 ' O ' ' N ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -44.4 -28.9 0.61 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.547 1.154 . . . . 0.0 109.575 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.528 ' HB3' HD11 ' A' ' 5' ' ' ILE . 0.8 OUTLIER -52.51 -32.43 40.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 0.0 109.363 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.529 ' HB2' HG23 ' A' ' 5' ' ' ILE . . . -81.57 -24.22 36.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.271 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 8' ' ' HIS . 13.4 tm0? -80.77 0.55 34.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.452 1.095 . . . . 0.0 110.264 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -97.81 -35.29 10.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.331 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.918 HD11 HD13 ' A' ' 5' ' ' ILE . 0.3 OUTLIER -74.98 -43.75 52.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 72.9 mt -62.5 -39.25 83.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.38 -7.0 56.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.329 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 40.1 mtt180 -98.27 -14.16 20.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.59 1.181 . . . . 0.0 110.308 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 103.03 30.76 5.32 Favored Glycine 0 CA--C 1.532 1.124 0 O-C-N 124.411 1.07 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.56 179.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 0.774 . . . . 0.0 109.356 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.78 97.33 3.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.706 HD22 HG21 ' A' ' 34' ' ' ILE . 8.0 tt -84.81 128.05 34.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.795 HG13 ' HB3' ' A' ' 40' ' ' ALA . 0.7 OUTLIER -105.76 126.91 61.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.365 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.402 ' CG ' ' SG ' ' A' ' 63' ' ' CYS . 0.2 OUTLIER -92.73 97.13 10.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.102 . . . . 0.0 109.316 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.536 HG23 HG23 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -94.61 39.65 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.577 1.173 . . . . 0.0 109.331 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.29 -177.42 4.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 110.268 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -41.77 142.5 0.65 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 1.028 ' HB1' HD21 ' A' ' 39' ' ' LEU . . . -120.44 -78.84 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -83.5 -17.07 43.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.91 -38.01 75.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.319 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.541 ' CD2' ' HB2' ' A' ' 31' ' ' ARG . 0.4 OUTLIER -114.58 -40.8 3.52 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.437 1.086 . . . . 0.0 110.997 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.727 ' O ' HD12 ' A' ' 30' ' ' LEU . 0.2 OUTLIER 39.21 29.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.375 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.541 ' HB2' ' CD2' ' A' ' 29' ' ' TYR . 42.4 mtt180 -99.64 -81.83 0.45 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 110.19 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -78.01 165.62 23.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.558 1.161 . . . . 0.0 110.21 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.846 ' HB3' ' HB3' ' A' ' 103' ' ' ALA . 1.5 t-80 -136.79 -144.89 0.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.595 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 1.001 HG22 ' HB2' ' A' ' 37' ' ' ALA . 0.1 OUTLIER -166.96 154.87 8.89 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 109.248 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.475 ' HG3' ' CE2' ' A' ' 95' ' ' TRP . 18.1 Cg_endo -75.09 107.51 2.5 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.509 1.794 . . . . 0.0 110.941 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 66.95 74.24 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.257 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 1.001 ' HB2' HG22 ' A' ' 34' ' ' ILE . . . -119.9 -173.18 2.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.763 ' OD2' HD12 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -177.7 108.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 1.028 HD21 ' HB1' ' A' ' 26' ' ' ALA . 4.0 mp -41.26 127.44 2.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.795 ' HB3' HG13 ' A' ' 21' ' ' ILE . . . -175.09 77.49 0.31 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.419 1.074 . . . . 0.0 109.303 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 42' ' ' LEU . 18.0 Cg_endo -75.13 151.51 39.04 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.551 1.816 . . . . 0.0 111.032 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 46' ' ' GLU . 1.3 pp -38.71 -39.01 0.45 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.7 m -53.08 -54.3 37.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.026 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.419 ' N ' ' O ' ' A' ' 41' ' ' PRO . 98.8 t -72.22 -44.36 64.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.095 . . . . 0.0 109.242 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.46 ' CD1' ' O ' ' A' ' 40' ' ' ALA . 36.7 mt -60.06 -19.71 54.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 42' ' ' LEU . 2.9 mt-10 -92.62 -56.79 2.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 110.225 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -21.34 66.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.399 1.062 . . . . 0.0 110.274 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 49' ' ' GLY . 8.5 t -101.19 -48.61 4.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.599 1.187 . . . . 0.0 109.99 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.52 ' O ' ' C ' ' A' ' 50' ' ' LEU . . . 60.16 130.13 0.01 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.52 ' C ' ' O ' ' A' ' 49' ' ' GLY . 0.2 OUTLIER 31.24 82.52 0.21 Allowed Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.496 0.762 . . . . 0.0 109.334 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 135.03 18.73 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.474 1.776 . . . . 0.0 111.038 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.44 -18.15 55.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.17 -16.79 48.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.618 HD13 HD11 ' A' ' 21' ' ' ILE . 14.9 mt -136.23 42.06 2.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.575 1.172 . . . . 0.0 109.269 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.3 ttt-85 -98.38 149.67 22.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.24 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -168.78 -149.59 0.08 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 109.616 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.55 ' O ' ' HB1' ' A' ' 83' ' ' ALA . 0.2 OUTLIER -107.54 -50.84 3.0 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.617 HE21 ' HZ ' ' A' ' 86' ' ' PHE . 7.5 mt-30 -128.23 106.05 8.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.165 . . . . 0.0 110.248 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.839 HD12 ' N ' ' A' ' 60' ' ' ILE . 0.7 OUTLIER -100.83 173.46 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.839 ' N ' HD12 ' A' ' 59' ' ' ILE . 3.6 mm -118.19 146.03 23.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.669 ' HB3' HD23 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -136.73 99.74 4.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.997 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.608 ' CD2' ' O ' ' A' ' 88' ' ' LEU . 1.8 t-80 -178.75 -178.19 0.55 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.62 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.483 ' CB ' ' O ' ' A' ' 62' ' ' HIS . 0.8 OUTLIER 160.4 170.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.505 1.128 . . . . 0.0 108.301 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.529 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 36.2 tt0 65.2 -90.56 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.319 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.529 ' HB2' ' O ' ' A' ' 64' ' ' GLN . . . 173.87 52.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 138.7 162.0 8.99 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.504 1.128 . . . . 0.0 111.03 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.43 ' O ' ' CB ' ' A' ' 68' ' ' ARG . 4.9 tptp -170.0 -43.74 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 0.775 . . . . 0.0 109.272 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.43 ' CB ' ' O ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER 78.85 43.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.359 -179.917 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.467 ' CB ' HD22 ' A' ' 87' ' ' LEU . 11.4 p -64.06 -19.39 65.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.347 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 41.9 t -57.1 -17.67 11.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.014 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -62.4 -63.58 1.19 Allowed 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 63.0 m-80 -126.25 44.79 2.78 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.608 ' HA ' HD12 ' A' ' 76' ' ' LEU . . . -56.65 -20.22 20.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.594 1.184 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.65 -62.6 1.7 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.432 1.082 . . . . 0.0 109.257 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.64 -30.13 54.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.269 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.608 HD12 ' HA ' ' A' ' 73' ' ' ALA . 28.5 mt -71.61 -40.04 70.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.67 ' O ' ' HB2' ' A' ' 81' ' ' ALA . . . -78.9 0.94 25.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -110.13 -0.87 17.75 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -87.41 -44.94 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.399 1.062 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.823 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -109.27 38.07 2.41 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.582 1.176 . . . . 0.0 109.229 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.841 ' HB1' ' HA ' ' A' ' 82' ' ' PRO . . . -107.93 166.03 11.68 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.592 1.182 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.841 ' HA ' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -74.96 118.58 5.38 Favored 'Cis proline' 0 C--N 1.359 1.096 0 C-N-CA 121.0 -2.5 . . . . 0.0 110.986 -0.036 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.823 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -163.47 164.69 24.35 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.329 1.018 . . . . 0.0 109.266 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -102.75 76.8 1.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.341 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.741 HG21 ' HB3' ' A' ' 80' ' ' ALA . 18.0 pt -79.2 139.74 17.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.395 1.06 . . . . 0.0 109.319 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.617 ' HZ ' HE21 ' A' ' 58' ' ' GLN . 13.1 m-85 -112.74 152.07 29.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.413 1.07 . . . . 0.0 110.977 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.669 HD23 ' HB3' ' A' ' 61' ' ' PHE . 0.2 OUTLIER -118.35 147.16 43.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.445 1.09 . . . . 0.0 109.361 179.912 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.638 HD22 HG22 ' A' ' 5' ' ' ILE . 0.3 OUTLIER -85.53 144.04 28.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -66.92 -160.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.105 . . . . 0.0 110.348 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -83.92 80.83 9.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 109.325 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 134.14 100.69 0.69 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.564 ' O ' HD12 ' A' ' 92' ' ' ILE . 1.2 pp -74.53 -3.61 4.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.479 0.752 . . . . 0.0 109.34 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 97' ' ' LYS . 2.4 p30 -50.46 -22.65 2.0 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 93' ' ' ASP . . . -37.24 -35.83 0.19 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.555 1.159 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.575 ' CZ2' ' HB3' ' A' ' 100' ' ' LEU . 19.5 t-105 -68.73 -60.59 2.29 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.3 ttpp -60.67 -15.5 29.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 93' ' ' ASP . 35.3 tttt -61.67 -15.4 39.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.556 ' HB3' HD12 ' A' ' 100' ' ' LEU . . . -109.19 23.16 14.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 62.45 40.32 98.94 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.502 1.126 . . . . 0.0 110.955 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.575 ' HB3' ' CZ2' ' A' ' 95' ' ' TRP . 1.0 OUTLIER -140.0 100.55 7.19 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.49 0.759 . . . . 0.0 109.343 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.416 ' O ' ' NE1' ' A' ' 95' ' ' TRP . 18.3 Cg_endo -74.99 -177.05 3.2 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.522 1.801 . . . . 0.0 110.937 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 22.3 m -85.78 -169.81 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.846 ' HB3' ' HB3' ' A' ' 33' ' ' HIS . . . -87.39 101.78 13.9 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.695 HG12 ' H ' ' A' ' 105' ' ' ASN . 1.4 t -92.56 -166.21 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.695 ' H ' HG12 ' A' ' 104' ' ' VAL . 16.6 p-10 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.269 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.765 ' C ' HD12 ' A' ' 2' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 87' ' ' LEU . 7.7 m -138.53 171.84 13.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.437 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.414 ' H ' HG22 ' A' ' 3' ' ' THR . 62.4 m -113.3 123.64 50.61 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.553 1.158 . . . . 0.0 110.408 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.597 HG23 ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -123.49 144.72 32.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 109.271 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.407 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 11.7 m -67.12 139.76 95.41 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.964 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.492 ' HB3' HD21 ' A' ' 88' ' ' LEU . 18.6 Cg_endo -75.09 0.41 8.98 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.534 1.807 . . . . 0.0 111.041 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -89.57 -32.69 17.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 109.616 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -101.87 -25.8 13.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.597 ' HB2' HG23 ' A' ' 5' ' ' ILE . . . -64.58 -26.98 68.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.344 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.6 tm0? -75.17 -2.42 27.71 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.541 1.15 . . . . 0.0 110.253 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -100.11 -47.78 4.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 110.245 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.563 HD12 ' HB3' ' A' ' 18' ' ' ALA . 3.6 pp -64.42 -37.05 86.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.373 1.045 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.832 ' HA ' ' HB3' ' A' ' 18' ' ' ALA . 9.1 mt -63.06 -49.52 83.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.17 -9.34 52.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.255 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -92.01 -22.61 19.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 110.36 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 162.12 -40.77 0.38 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.571 1.169 . . . . 0.0 111.029 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.832 ' HB3' ' HA ' ' A' ' 14' ' ' ILE . . . -43.44 143.68 0.87 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 0.805 . . . . 0.0 109.364 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.65 160.3 20.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.2 tt -114.71 158.77 21.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.155 . . . . 0.0 109.241 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.719 HG13 ' HB3' ' A' ' 40' ' ' ALA . 0.8 OUTLIER -137.32 127.04 37.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.695 ' OD1' ' HB1' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -95.87 104.21 16.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 6.1 mt -90.77 41.11 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.132 . . . . 0.0 109.266 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -116.2 -173.57 2.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 110.281 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -42.47 158.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 0.0 109.303 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.81 ' HA ' HD11 ' A' ' 39' ' ' LEU . . . -109.8 -74.59 0.65 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -109.75 -8.33 14.94 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.418 1.074 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.01 -39.62 92.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.249 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.544 ' CD2' ' HB2' ' A' ' 31' ' ' ARG . 1.4 t80 -120.34 -45.27 2.44 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.517 1.135 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.817 HD23 ' O ' ' A' ' 30' ' ' LEU . 2.9 tt 31.4 44.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.544 ' HB2' ' CD2' ' A' ' 29' ' ' TYR . 3.9 mtt180 -95.26 -77.31 0.47 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 110.323 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.446 ' HB3' HG21 ' A' ' 102' ' ' VAL . 5.2 mp0 -65.24 168.97 6.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 110.221 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.428 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 5.3 t-160 -170.14 87.76 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.578 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.514 ' C ' ' H ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -44.28 156.73 0.32 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 109.217 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.566 ' HG3' ' CE2' ' A' ' 95' ' ' TRP . 17.9 Cg_endo -74.98 28.91 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.479 1.778 . . . . 0.0 110.943 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.514 ' H ' ' C ' ' A' ' 34' ' ' ILE . 1.4 mt-10 165.46 89.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 110.333 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.695 ' HB1' ' OD1' ' A' ' 22' ' ' ASP . . . -148.0 178.48 8.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.591 1.182 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.909 ' HB3' HD13 ' A' ' 54' ' ' LEU . 52.0 m-20 -159.32 104.26 1.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.245 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.81 HD11 ' HA ' ' A' ' 26' ' ' ALA . 4.1 tp -37.5 124.24 1.02 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.575 1.172 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.719 ' HB3' HG13 ' A' ' 21' ' ' ILE . . . -170.28 65.38 0.49 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.313 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.07 171.21 18.77 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.49 1.784 . . . . 0.0 110.997 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 46' ' ' GLU . 14.6 mt -46.9 -39.49 12.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.6 p -51.84 -56.27 14.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 109.898 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.606 HG13 ' HB2' ' A' ' 48' ' ' SER . 96.0 t -73.46 -39.23 54.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 O-C-N 124.404 1.065 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.7 mt -63.3 -17.75 62.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.38 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 42' ' ' LEU . 1.3 mm-40 -102.88 -60.11 1.6 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.552 1.157 . . . . 0.0 110.259 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.12 -41.35 94.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.374 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.606 ' HB2' HG13 ' A' ' 44' ' ' VAL . 0.3 OUTLIER -87.04 -53.93 4.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.98 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 50' ' ' LEU . . . 93.97 -171.17 31.14 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.519 1.137 . . . . 0.0 110.957 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.683 HD23 ' O ' ' A' ' 50' ' ' LEU . 6.4 tt -38.7 101.48 0.23 Allowed Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.49 0.759 . . . . 0.0 109.349 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 75.53 3.67 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.466 1.772 . . . . 0.0 110.992 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.78 -18.94 9.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.02 -28.82 69.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 109.271 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.909 HD13 ' HB3' ' A' ' 38' ' ' ASP . 0.4 OUTLIER -126.3 38.13 4.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.997 HH21 HD11 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -123.49 166.53 15.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 110.253 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -159.99 -161.63 0.91 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.628 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -52.74 -20.77 3.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 110.227 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -171.17 157.32 5.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 1.077 HD11 ' CD2' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -143.57 149.74 17.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.595 1.184 . . . . 0.0 109.261 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.401 HG22 ' HB2' ' A' ' 88' ' ' LEU . 0.9 OUTLIER -142.1 128.71 19.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.413 1.071 . . . . 0.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 1.077 ' CD2' HD11 ' A' ' 59' ' ' ILE . 0.8 OUTLIER -138.82 -171.34 3.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -173.22 151.19 2.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.626 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 21.3 p -49.39 172.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 108.266 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -54.54 -83.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.266 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -144.29 61.53 1.34 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -144.2 -138.86 3.41 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.421 1.076 . . . . 0.0 111.0 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.88 -166.57 2.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.422 0.719 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 66.34 78.84 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.362 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.462 ' O ' ' HB2' ' A' ' 73' ' ' ALA . 81.1 m -119.77 -39.58 2.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.59 1.181 . . . . 0.0 110.41 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 47.4 t -67.69 -14.19 62.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 110.056 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 25.6 t30 -48.65 -43.02 36.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.346 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -152.11 50.64 0.79 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.406 1.066 . . . . 0.0 109.258 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.634 ' HB3' HD22 ' A' ' 2' ' ' LEU . . . -84.3 -11.25 56.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -64.54 -52.94 55.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 109.362 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -50.7 -46.52 58.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.421 ' HA ' ' CG2' ' A' ' 79' ' ' ILE . 17.7 mt -67.62 -45.57 75.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 109.349 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.411 ' HB2' ' HB3' ' A' ' 2' ' ' LEU . . . -53.97 -20.76 6.69 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.462 1.101 . . . . 0.0 109.397 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -104.74 -30.55 9.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.21 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.435 ' N ' ' O ' ' A' ' 75' ' ' LYS . 0.3 OUTLIER -60.45 -16.07 11.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 109.361 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.938 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -128.43 38.03 4.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.83 ' HB1' ' HA ' ' A' ' 82' ' ' PRO . . . -99.2 165.49 14.75 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.83 ' HA ' ' HB1' ' A' ' 81' ' ' ALA . 18.5 Cg_endo -74.96 0.83 16.13 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 120.953 -2.519 . . . . 0.0 111.03 -0.069 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.938 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -36.99 145.65 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.564 1.165 . . . . 0.0 109.299 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -81.62 117.76 22.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.328 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.997 HD11 HH21 ' A' ' 55' ' ' ARG . 7.9 mm -109.55 164.73 5.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.608 ' CD1' ' O ' ' A' ' 85' ' ' ILE . 10.2 m-85 -161.67 177.24 10.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 111.008 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.559 HD11 HD13 ' A' ' 2' ' ' LEU . 26.2 mt -119.7 153.79 35.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.247 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.492 HD21 ' HB3' ' A' ' 7' ' ' PRO . 9.0 tt -118.65 107.56 13.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 88' ' ' LEU . 0.0 OUTLIER -38.96 111.83 0.2 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 0.0 110.403 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.426 ' HB3' ' CB ' ' A' ' 93' ' ' ASP . 39.1 m-20 64.27 139.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 109.356 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -81.08 -95.7 0.42 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.512 1.133 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.426 HD12 ' HA ' ' A' ' 92' ' ' ILE . 10.6 tp -50.8 -43.91 25.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.551 0.795 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.426 ' CB ' ' HB3' ' A' ' 90' ' ' ASP . 0.5 OUTLIER -55.68 -19.65 11.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.441 ' O ' ' CB ' ' A' ' 97' ' ' LYS . . . -61.99 -76.37 0.25 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.514 1.134 . . . . 0.0 111.025 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.603 ' CZ3' HD13 ' A' ' 100' ' ' LEU . 22.9 t-105 -60.67 -22.77 64.24 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.0 tttt -87.38 -0.06 56.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.441 ' CB ' ' O ' ' A' ' 94' ' ' GLY . 13.2 tptp -56.9 -19.72 19.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 1.089 ' HB3' ' CD1' ' A' ' 100' ' ' LEU . . . -125.65 28.61 6.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.271 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 56.75 40.2 88.54 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.534 1.146 . . . . 0.0 111.013 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 1.089 ' CD1' ' HB3' ' A' ' 98' ' ' ALA . 0.3 OUTLIER -106.95 115.03 60.91 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.474 0.749 . . . . 0.0 109.351 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 152.69 40.74 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.526 1.803 . . . . 0.0 110.954 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.446 HG21 ' HB3' ' A' ' 32' ' ' GLU . 20.8 m -80.06 176.92 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 33' ' ' HIS . . . -79.54 76.65 6.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.415 1.072 . . . . 0.0 109.277 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.775 HG13 ' N ' ' A' ' 105' ' ' ASN . 3.2 p -85.31 -145.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.775 ' N ' HG13 ' A' ' 104' ' ' VAL . 16.3 p30 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.513 ' HA ' HD23 ' A' ' 2' ' ' LEU . 6.0 mt -71.74 88.55 1.0 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 109.232 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.575 ' HB ' ' CE2' ' A' ' 86' ' ' PHE . 1.7 m -129.0 166.27 19.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.394 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.454 HG23 ' N ' ' A' ' 5' ' ' ILE . 2.8 t -141.39 -170.06 3.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.555 1.159 . . . . 0.0 110.416 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.454 ' N ' HG23 ' A' ' 4' ' ' THR . 0.6 OUTLIER -153.55 -170.44 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.424 1.077 . . . . 0.0 109.336 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.5 p -107.31 147.41 35.18 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.013 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.84 60.73 5.38 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.468 1.772 . . . . 0.0 111.031 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -163.29 -43.99 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.571 1.17 . . . . 0.0 109.582 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -91.44 -29.0 17.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.23 -21.03 46.37 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.437 1.086 . . . . 0.0 109.328 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 20.5 tm0? -79.11 -2.6 41.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.281 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -94.94 -35.65 11.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.586 1.178 . . . . 0.0 110.184 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.72 ' N ' HD23 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -69.42 -49.66 53.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.426 1.079 . . . . 0.0 109.329 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.732 ' HA ' ' HB3' ' A' ' 18' ' ' ALA . 11.0 mt -59.95 -39.45 80.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.61 -3.92 46.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.1 mtp-105 -98.64 -20.87 16.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 110.274 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 130.83 42.41 0.2 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.603 1.189 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.732 ' HB3' ' HA ' ' A' ' 14' ' ' ILE . . . -111.67 131.27 55.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 0.785 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.23 134.89 35.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.254 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.682 ' HA ' HG22 ' A' ' 60' ' ' ILE . 6.1 tt -107.31 103.76 13.21 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.477 1.111 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.507 HG13 ' HB3' ' A' ' 40' ' ' ALA . 1.1 mp -86.05 115.53 27.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.236 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.459 ' OD1' ' N ' ' A' ' 22' ' ' ASP . 0.1 OUTLIER -91.17 106.49 18.55 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.744 HG22 HD11 ' A' ' 45' ' ' LEU . 5.0 pt -89.44 39.94 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.586 1.179 . . . . 0.0 109.253 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.643 ' NH1' ' CE1' ' A' ' 29' ' ' TYR . 3.1 ptp180 -116.88 -173.05 2.32 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.489 ' CB ' ' HB2' ' A' ' 28' ' ' GLU . 1.0 OUTLIER -59.6 174.26 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.407 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.477 ' HB2' HD21 ' A' ' 39' ' ' LEU . . . -120.66 -69.77 0.82 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.22 -39.97 74.79 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.489 ' HB2' ' CB ' ' A' ' 25' ' ' ASP . 3.9 mm-40 -59.27 -23.19 62.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 110.323 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.643 ' CE1' ' NH1' ' A' ' 24' ' ' ARG . 0.6 OUTLIER -118.64 0.82 11.59 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.502 1.126 . . . . 0.0 110.972 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 26' ' ' ALA . 2.4 tp -45.66 -25.99 0.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.6 1.188 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.423 ' N ' ' C ' ' A' ' 29' ' ' TYR . 2.8 mmp_? -54.15 -52.9 59.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.425 1.078 . . . . 0.0 110.301 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.729 ' HB2' HG21 ' A' ' 102' ' ' VAL . 1.1 pt-20 -116.84 152.54 34.22 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 0.0 110.34 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.552 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.2 OUTLIER -152.82 119.22 5.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.557 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.473 HG12 ' CD ' ' A' ' 35' ' ' PRO . 0.0 OUTLIER -45.94 163.42 0.22 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.239 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.557 ' HG3' ' CE2' ' A' ' 95' ' ' TRP . 18.5 Cg_endo -74.95 47.57 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.486 1.782 . . . . 0.0 111.011 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.445 ' CB ' ' O ' ' A' ' 35' ' ' PRO . 2.9 mt-10 164.49 -86.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.276 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.438 ' O ' ' CG ' ' A' ' 38' ' ' ASP . . . 50.21 179.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.419 1.075 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.82 ' HB3' HD13 ' A' ' 54' ' ' LEU . 53.7 m-20 -168.75 92.19 0.29 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.467 1.104 . . . . 0.0 109.245 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.477 HD21 ' HB2' ' A' ' 26' ' ' ALA . 0.3 OUTLIER -38.21 119.5 0.8 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.669 ' O ' HD11 ' A' ' 45' ' ' LEU . . . -171.7 66.05 0.41 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.43 ' O ' ' N ' ' A' ' 44' ' ' VAL . 18.3 Cg_endo -74.97 163.6 35.06 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.441 1.758 . . . . 0.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 46' ' ' GLU . 0.9 OUTLIER -41.19 -39.02 1.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.349 179.878 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.404 ' N ' ' HG ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -55.27 -48.2 74.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.019 -179.929 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.507 ' O ' ' CB ' ' A' ' 48' ' ' SER . 74.4 t -78.24 -39.36 24.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.744 HD11 HG22 ' A' ' 23' ' ' ILE . 9.5 mt -64.93 -17.45 64.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 42' ' ' LEU . 4.0 mt-10 -101.74 -59.05 1.77 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.458 1.099 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.57 -39.82 92.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.261 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.507 ' CB ' ' O ' ' A' ' 44' ' ' VAL . 0.3 OUTLIER -89.9 -54.58 3.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.99 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.34 -157.73 15.37 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.517 1.135 . . . . 0.0 111.032 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.78 HD12 ' O ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -46.13 141.05 4.8 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.508 0.769 . . . . 0.0 109.367 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 50' ' ' LEU . 18.5 Cg_endo -75.04 65.16 6.11 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.492 1.785 . . . . 0.0 110.991 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.48 -52.03 63.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.2 ptmt -54.57 -20.17 7.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.264 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.82 HD13 ' HB3' ' A' ' 38' ' ' ASP . 0.3 OUTLIER -130.07 39.3 3.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.364 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.404 ' N ' ' O ' ' A' ' 51' ' ' PRO . 4.2 ttt-85 -114.19 137.63 51.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 110.319 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 25.9 t-80 -139.47 -95.55 0.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.567 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -119.91 -52.61 2.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.293 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -132.1 119.07 20.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 110.329 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.468 HD11 ' HB1' ' A' ' 80' ' ' ALA . 1.1 pt -111.39 146.73 15.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.591 1.182 . . . . 0.0 109.241 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.682 HG22 ' HA ' ' A' ' 20' ' ' LEU . 5.9 tt -102.7 163.73 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.569 ' HZ ' HD22 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -146.04 97.14 2.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 111.0 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.504 ' O ' ' CB ' ' A' ' 63' ' ' CYS . 14.2 t-80 -176.61 169.71 2.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.641 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 62' ' ' HIS . 0.8 OUTLIER 159.85 56.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 108.32 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -156.16 176.35 12.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.272 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -116.73 45.75 1.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 109.263 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 82.95 100.16 0.51 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.518 1.136 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -134.15 -78.12 0.46 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.496 0.762 . . . . 0.0 109.337 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.73 73.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.151 . . . . 0.0 110.363 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.7 m -89.55 -47.38 8.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.434 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.7 t -47.4 -25.4 1.03 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.946 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -45.16 -61.62 1.57 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.567 ' O ' HD12 ' A' ' 76' ' ' LEU . 16.0 m-20 -128.15 48.93 2.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.09 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -91.88 -5.85 52.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.535 1.147 . . . . 0.0 109.238 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 77' ' ' ALA . 0.0 OUTLIER -83.99 -77.93 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.422 1.076 . . . . 0.0 109.377 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.1 -26.79 0.81 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.453 1.096 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.567 HD12 ' O ' ' A' ' 72' ' ' ASN . 9.8 mt -66.98 -44.43 80.43 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 74' ' ' ASP . . . -62.38 -25.45 67.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -89.05 -13.5 38.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.345 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 12.2 mt -82.53 -30.32 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.78 ' O ' HD12 ' A' ' 50' ' ' LEU . . . -97.45 18.08 16.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.909 ' HB1' ' HA ' ' A' ' 82' ' ' PRO . . . -100.95 167.35 10.91 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.909 ' HA ' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -75.04 119.74 6.18 Favored 'Cis proline' 0 C--N 1.359 1.124 0 C-N-CA 120.99 -2.504 . . . . 0.0 111.015 0.033 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.645 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -174.07 159.51 3.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.514 ' C ' HD13 ' A' ' 85' ' ' ILE . 1.3 mm-40 -83.3 103.97 13.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 110.321 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.539 ' N ' HD13 ' A' ' 85' ' ' ILE . 1.6 mm -97.41 148.31 5.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 109.356 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.575 ' CE2' ' HB ' ' A' ' 3' ' ' THR . 29.8 m-85 -145.18 162.16 37.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.135 . . . . 0.0 110.946 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.461 HD11 ' CD2' ' A' ' 2' ' ' LEU . 20.2 mt -113.97 158.48 21.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.481 ' HB3' ' CG ' ' A' ' 62' ' ' HIS . 0.4 OUTLIER -103.53 120.49 40.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 91' ' ' GLY . 0.6 OUTLIER -37.67 129.99 1.07 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 110.303 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 89' ' ' GLU . 4.0 m-20 -38.95 96.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 89' ' ' GLU . . . 157.53 106.27 0.23 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.952 ' O ' HD13 ' A' ' 92' ' ' ILE . 0.0 OUTLIER -62.6 -14.09 12.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.462 0.742 . . . . 0.0 109.335 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.51 ' O ' ' N ' ' A' ' 95' ' ' TRP . 4.0 m-20 -39.03 -93.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.252 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 42.86 -91.07 0.01 OUTLIER Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.865 ' O ' HD12 ' A' ' 100' ' ' LEU . 6.8 t-105 -61.85 -33.52 74.33 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 16.8 tttt -86.29 -8.89 57.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.337 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.9 tptp -58.82 -22.64 59.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 1.067 ' HB3' HD11 ' A' ' 100' ' ' LEU . . . -108.01 23.56 14.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.266 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 55.95 49.54 66.31 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.607 1.192 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 1.067 HD11 ' HB3' ' A' ' 98' ' ' ALA . 0.3 OUTLIER -115.51 120.51 36.12 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.52 0.776 . . . . 0.0 109.311 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 149.96 37.36 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.385 1.729 . . . . 0.0 111.001 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.729 HG21 ' HB2' ' A' ' 32' ' ' GLU . 33.7 m -79.49 -177.0 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 109.255 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.552 ' O ' ' CD2' ' A' ' 33' ' ' HIS . . . -80.04 111.48 16.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.467 HG12 ' H ' ' A' ' 105' ' ' ASN . 1.7 t -99.33 171.24 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 109.267 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.467 ' H ' HG12 ' A' ' 104' ' ' VAL . 1.8 p-10 -60.4 -16.38 35.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.376 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.57 103.79 4.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 8.7 t -92.36 -59.32 2.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 109.928 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 . . . . . 0 C--N 1.326 -0.424 0 O-C-N 124.443 1.09 . . . . 0.0 110.312 -179.978 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 3' ' ' THR . . . . . . . . 0 N--CA 1.452 -0.363 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.526 HD23 ' N ' ' A' ' 2' ' ' LEU . 1.2 mt -56.34 89.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.434 ' N ' ' O ' ' A' ' 1' ' ' ALA . 1.5 m -122.09 165.58 15.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.572 1.17 . . . . 0.0 110.432 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.7 t -169.34 136.88 1.8 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.408 1.067 . . . . 0.0 110.487 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.759 HG13 HD11 ' A' ' 88' ' ' LEU . 27.6 pt -140.39 -171.92 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 O-C-N 124.455 1.097 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 m -104.61 158.66 31.52 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 110.006 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 58.46 4.92 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.477 1.778 . . . . 0.0 110.956 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -129.76 -45.18 1.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 109.593 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.26 -20.83 13.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.912 ' O ' HD12 ' A' ' 14' ' ' ILE . . . -72.57 -28.07 62.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.7 tm0? -73.41 -2.82 23.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.341 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -96.27 -49.98 4.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.234 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.536 HD21 ' HA ' ' A' ' 10' ' ' ALA . 1.0 OUTLIER -64.3 -37.57 87.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.423 1.077 . . . . 0.0 109.229 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.912 HD12 ' O ' ' A' ' 10' ' ' ALA . 5.6 mt -62.65 -47.31 93.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.88 -9.39 57.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.412 1.07 . . . . 0.0 109.252 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -91.51 -22.69 20.25 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 0.0 110.384 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 161.88 -40.03 0.39 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.875 ' HB3' ' HA ' ' A' ' 14' ' ' ILE . . . -42.65 117.09 0.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 0.776 . . . . 0.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.571 ' HD3' HD23 ' A' ' 54' ' ' LEU . 0.1 OUTLIER -81.62 157.68 24.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 109.304 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.885 HD12 HG21 ' A' ' 60' ' ' ILE . 0.3 OUTLIER -113.76 126.04 54.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.438 HG23 ' HB3' ' A' ' 40' ' ' ALA . 25.1 mm -128.39 143.23 41.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -138.55 142.84 39.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.589 1.181 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.584 HG22 HD12 ' A' ' 45' ' ' LEU . 42.4 pt -96.24 41.82 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.476 ' CZ ' ' OE1' ' A' ' 28' ' ' GLU . 3.7 ptm180 -84.03 177.34 8.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -87.11 176.46 7.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.347 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 29' ' ' TYR . . . -92.86 -49.08 6.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.464 1.102 . . . . 0.0 109.35 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -50.28 -27.82 6.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.421 1.076 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.476 ' OE1' ' CZ ' ' A' ' 24' ' ' ARG . 0.6 OUTLIER -76.34 -29.89 57.43 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.562 ' O ' ' CD1' ' A' ' 29' ' ' TYR . 3.9 t80 -86.5 -4.04 59.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.8 tp -65.48 -33.19 75.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.44 -76.67 0.61 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.448 1.093 . . . . 0.0 110.278 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.82 173.23 12.8 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 110.273 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.865 ' HB3' ' HB3' ' A' ' 103' ' ' ALA . 0.7 OUTLIER -143.74 -139.29 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 109.575 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.562 ' CG2' ' HB3' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -157.95 163.72 23.7 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.35 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.599 ' HG3' ' CD1' ' A' ' 95' ' ' TRP . 18.2 Cg_endo -74.98 80.96 2.31 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.527 1.804 . . . . 0.0 110.931 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 65.49 105.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.562 ' HB3' ' CG2' ' A' ' 34' ' ' ILE . . . -169.56 -173.29 1.62 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -154.43 121.57 5.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.31 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.8 135.51 51.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 109.318 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.584 ' O ' HG22 ' A' ' 23' ' ' ILE . . . -171.3 87.09 0.47 Allowed Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.467 1.104 . . . . 0.0 109.309 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.435 ' HA ' ' CB ' ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.03 152.0 40.09 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.483 1.781 . . . . 0.0 111.047 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 46' ' ' GLU . 0.6 OUTLIER -38.25 -38.3 0.34 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.596 1.185 . . . . 0.0 109.296 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.77 -62.1 1.87 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.627 1.204 . . . . 0.0 109.925 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 48' ' ' SER . 44.6 t -70.33 -37.33 70.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.584 HD12 HG22 ' A' ' 23' ' ' ILE . 13.5 mt -64.6 -17.97 64.48 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.424 1.078 . . . . 0.0 109.264 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 42' ' ' LEU . 0.9 OUTLIER -96.53 -45.45 6.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 110.345 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.27 -23.42 57.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.581 1.176 . . . . 0.0 110.341 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 44' ' ' VAL . 2.2 t -102.51 -56.88 2.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.007 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.422 ' O ' ' N ' ' A' ' 51' ' ' PRO . . . 83.44 161.94 32.29 Favored Glycine 0 CA--C 1.528 0.869 0 O-C-N 124.511 1.132 . . . . 0.0 111.08 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.437 HD22 ' HA ' ' A' ' 50' ' ' LEU . 1.0 OUTLIER -38.8 99.2 0.19 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.446 0.733 . . . . 0.0 109.31 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.422 ' N ' ' O ' ' A' ' 49' ' ' GLY . 18.5 Cg_endo -74.91 152.63 41.46 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.428 1.751 . . . . 0.0 111.049 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.69 -39.32 73.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.44 -23.85 17.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.346 1.029 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.571 HD23 ' HD3' ' A' ' 19' ' ' LYS . 2.3 mt -130.52 39.46 3.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 64.7 ttt180 -107.9 134.94 50.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.254 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -148.95 -164.24 1.98 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.458 1.099 . . . . 0.0 109.575 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -86.17 -32.92 20.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 110.293 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -142.51 113.16 7.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.412 1.07 . . . . 0.0 110.285 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.712 HD11 HD12 ' A' ' 85' ' ' ILE . 1.8 pp -111.76 152.18 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.885 HG21 HD12 ' A' ' 20' ' ' LEU . 19.8 tt -110.87 163.01 7.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.407 ' N ' ' O ' ' A' ' 86' ' ' PHE . 1.1 m-85 -135.82 152.93 51.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.623 ' CE1' ' HB2' ' A' ' 88' ' ' LEU . 10.7 m80 -147.57 107.24 3.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.607 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -49.35 -71.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 108.282 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -162.42 -50.02 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 110.317 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -154.2 57.5 0.71 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.539 1.15 . . . . 0.0 109.351 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 53.87 174.19 0.07 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.489 1.118 . . . . 0.0 110.974 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? 66.78 157.63 0.12 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.478 0.752 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 58.84 35.35 24.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.428 ' C ' ' N ' ' A' ' 71' ' ' ASN . 69.8 p -101.14 -69.27 0.78 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 110.414 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.408 ' N ' ' OG1' ' A' ' 69' ' ' THR . 1.9 t -42.58 -27.77 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.049 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.428 ' N ' ' C ' ' A' ' 69' ' ' THR . 3.3 t-20 -45.77 -49.63 14.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.547 1.154 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -141.24 50.79 1.6 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.462 ' O ' ' HB2' ' A' ' 77' ' ' ALA . . . -81.54 -21.44 38.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.24 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.24 -57.34 3.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.91 -50.61 14.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.329 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 70.3 mt -65.65 -42.45 91.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.583 1.177 . . . . 0.0 109.278 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.462 ' HB2' ' O ' ' A' ' 73' ' ' ALA . . . -65.41 -11.91 47.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.538 1.148 . . . . 0.0 109.274 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -99.64 -15.58 18.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 2.0 mt -79.31 -14.19 13.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.43 1.081 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.84 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -136.87 45.21 2.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.412 1.07 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.804 ' HB1' ' HA ' ' A' ' 82' ' ' PRO . . . -103.89 165.02 14.18 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.453 1.095 . . . . 0.0 109.352 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.804 ' HA ' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -75.06 1.12 16.26 Favored 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 120.956 -2.518 . . . . 0.0 110.989 0.035 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.84 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -37.36 147.98 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.431 1.082 . . . . 0.0 109.264 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.808 ' C ' HD13 ' A' ' 85' ' ' ILE . 10.2 mt-10 -75.21 120.7 21.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.411 1.07 . . . . 0.0 110.254 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.808 HD13 ' C ' ' A' ' 84' ' ' GLU . 2.7 mm -114.12 152.24 15.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.606 1.191 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.602 ' CE1' ' O ' ' A' ' 59' ' ' ILE . 30.7 p90 -175.28 156.88 2.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.57 1.169 . . . . 0.0 111.018 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.687 ' N ' HD13 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -130.52 158.29 40.34 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.759 HD11 HG13 ' A' ' 5' ' ' ILE . 1.0 OUTLIER -98.73 117.15 32.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.568 1.167 . . . . 0.0 109.239 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -42.7 -70.21 0.11 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.472 1.107 . . . . 0.0 110.262 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -61.64 -60.92 2.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.243 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 65.3 -113.01 5.46 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.456 1.098 . . . . 0.0 111.018 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 11.5 mm -50.53 -50.44 21.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.489 0.758 . . . . 0.0 109.34 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.25 -37.97 70.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.533 1.146 . . . . 0.0 109.243 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -73.55 -48.44 17.93 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.465 1.103 . . . . 0.0 110.969 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.632 ' CD1' ' O ' ' A' ' 100' ' ' LEU . 57.2 t-105 -50.93 -44.09 60.19 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.2 tttm -75.72 -26.8 57.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.313 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 27.2 tttt -54.51 -20.02 6.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.847 ' HB3' HD12 ' A' ' 100' ' ' LEU . . . -109.99 24.14 13.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 53.38 43.16 65.61 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.46 1.1 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.847 HD12 ' HB3' ' A' ' 98' ' ' ALA . 4.1 mt -122.06 103.37 39.56 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.533 0.784 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 179.63 5.91 Favored 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.422 1.748 . . . . 0.0 110.978 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 20.0 m -88.94 -166.33 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.62 1.2 . . . . 0.0 109.298 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.865 ' HB3' ' HB3' ' A' ' 33' ' ' HIS . . . -91.89 97.21 10.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.52 HG12 ' H ' ' A' ' 105' ' ' ASN . 2.0 t -97.87 173.42 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.344 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.52 ' H ' HG12 ' A' ' 104' ' ' VAL . 63.5 t30 -144.76 74.81 1.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.372 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.51 179.95 7.07 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.516 1.135 . . . . 0.0 109.368 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 24.4 m 55.33 169.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.399 1.062 . . . . 0.0 110.001 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 55.1 tp60 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 110.271 -179.893 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.449 HD22 ' CG ' ' A' ' 87' ' ' LEU . 5.7 mt -63.95 107.96 1.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.347 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.8 m -103.06 165.94 10.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.419 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.9 t -137.38 134.04 35.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 110.42 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.523 ' HB ' ' HB2' ' A' ' 10' ' ' ALA . 1.9 pp -148.2 -174.36 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.085 . . . . 0.0 109.279 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.494 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 0.6 OUTLIER 163.68 -52.34 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.466 1.104 . . . . 0.0 110.037 -179.925 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 6' ' ' SER . 18.1 Cg_endo -75.06 -162.22 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.432 1.754 . . . . 0.0 111.012 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -44.13 -30.81 0.82 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.465 1.103 . . . . 0.0 109.607 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -53.76 -39.64 65.52 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.422 1.076 . . . . 0.0 109.271 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.523 ' HB2' ' HB ' ' A' ' 5' ' ' ILE . . . -74.57 -26.72 60.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.423 1.077 . . . . 0.0 109.303 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -81.0 1.11 32.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.32 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -98.11 -51.28 4.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.188 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.671 ' CD1' HD11 ' A' ' 60' ' ' ILE . 3.3 pp -62.55 -32.86 73.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.105 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 69.4 mt -67.38 -47.66 80.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.61 -7.79 49.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.574 1.171 . . . . 0.0 109.285 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -90.32 -22.01 21.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 110.272 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.596 ' O ' ' CD2' ' A' ' 56' ' ' HIS . . . 131.26 -4.27 5.57 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.529 1.143 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.465 ' CB ' ' O ' ' A' ' 13' ' ' LEU . . . -56.9 155.56 7.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.576 0.809 . . . . 0.0 109.319 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.461 ' HB3' HG22 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -123.03 152.03 41.35 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 1.033 HD23 ' HB2' ' A' ' 37' ' ' ALA . 0.5 OUTLIER -126.02 149.03 49.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.513 HG23 HG23 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -122.83 152.51 27.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.446 ' HA ' ' CD2' ' A' ' 62' ' ' HIS . 2.5 t70 -115.39 114.51 25.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.885 HG22 ' O ' ' A' ' 40' ' ' ALA . 1.5 pt -120.72 53.27 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.366 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.648 ' CZ ' ' CG ' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -126.07 179.55 5.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.305 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.441 ' O ' ' NE ' ' A' ' 24' ' ' ARG . 1.7 m-20 -40.83 146.23 0.16 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.542 1.151 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -115.87 -36.36 4.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.323 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -79.17 -30.71 43.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.413 ' HB2' ' CB ' ' A' ' 25' ' ' ASP . 1.3 mm-40 -83.45 -22.4 32.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.083 . . . . 0.0 110.294 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.648 ' CG ' ' CZ ' ' A' ' 24' ' ' ARG . 0.3 OUTLIER -110.88 -0.62 16.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 111.026 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 29' ' ' TYR . 0.9 OUTLIER -40.12 -32.65 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.413 ' N ' ' C ' ' A' ' 29' ' ' TYR . 5.0 mtp180 -79.1 -63.16 1.48 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 110.313 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.557 ' HB2' ' CD1' ' A' ' 29' ' ' TYR . 0.9 OUTLIER -61.54 165.74 4.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.277 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.862 ' HB3' ' HB3' ' A' ' 103' ' ' ALA . 1.6 t-80 -135.31 -140.33 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.532 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.046 HG21 ' HB3' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -155.02 162.35 27.42 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.088 . . . . 0.0 109.278 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.59 ' HG3' ' CD1' ' A' ' 95' ' ' TRP . 18.2 Cg_endo -75.07 -47.01 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.439 1.757 . . . . 0.0 111.026 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.493 ' O ' ' HB2' ' A' ' 37' ' ' ALA . 1.5 tt0 -152.19 92.19 1.68 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 110.275 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 1.046 ' HB3' HG21 ' A' ' 34' ' ' ILE . . . 176.02 -176.72 0.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.366 1.041 . . . . 0.0 109.366 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.457 ' CB ' HD11 ' A' ' 54' ' ' LEU . 0.1 OUTLIER -159.17 130.25 6.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 179.917 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.469 ' CD1' ' HD3' ' A' ' 41' ' ' PRO . 12.3 tp -40.02 145.14 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.885 ' O ' HG22 ' A' ' 23' ' ' ILE . . . 180.0 73.46 0.17 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 109.224 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.469 ' HD3' ' CD1' ' A' ' 39' ' ' LEU . 18.6 Cg_endo -75.04 160.9 39.48 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.516 1.798 . . . . 0.0 111.028 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.501 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -39.05 -34.76 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.573 1.17 . . . . 0.0 109.327 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.408 ' N ' ' HG ' ' A' ' 42' ' ' LEU . 38.8 p -57.14 -58.14 9.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 110.043 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 29.1 t -73.79 -32.66 35.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.113 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.415 ' HA ' HD23 ' A' ' 45' ' ' LEU . 15.8 mt -72.03 -14.39 61.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.501 ' CG ' ' O ' ' A' ' 42' ' ' LEU . 2.8 mm-40 -95.69 -45.19 7.12 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.51 1.131 . . . . 0.0 110.271 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -81.43 -28.03 34.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.209 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.68 -64.39 1.29 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.548 1.155 . . . . 0.0 110.04 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 51' ' ' PRO . . . 85.64 -170.02 43.63 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.456 1.097 . . . . 0.0 110.996 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 49' ' ' GLY . 13.9 tp -37.9 98.71 0.17 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.473 0.749 . . . . 0.0 109.26 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.441 ' N ' ' O ' ' A' ' 49' ' ' GLY . 18.3 Cg_endo -75.1 143.01 28.25 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.51 1.795 . . . . 0.0 110.95 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.38 -35.96 81.65 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.81 -19.88 60.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 0.0 109.253 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.457 HD11 ' CB ' ' A' ' 38' ' ' ASP . 1.6 mt -135.28 39.82 2.88 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.8 ttt85 -103.99 133.49 48.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.324 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 17' ' ' GLY . 3.0 t60 -142.87 -147.91 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.598 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -109.47 -16.71 13.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.276 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.402 ' HA ' ' O ' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -160.3 109.08 1.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.205 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.619 ' CG1' HD12 ' A' ' 85' ' ' ILE . 1.0 OUTLIER -107.33 -175.17 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.671 HD11 ' CD1' ' A' ' 13' ' ' LEU . 7.7 mt -140.68 173.13 10.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 109.228 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.605 ' H ' HG22 ' A' ' 60' ' ' ILE . 1.5 m-85 -136.69 134.14 36.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 111.055 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.446 ' CD2' ' HA ' ' A' ' 22' ' ' ASP . 0.0 OUTLIER -135.12 154.37 51.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.607 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -106.26 -169.61 1.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 108.256 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -66.57 -22.37 66.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 110.309 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -168.27 51.57 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 46.31 -163.5 0.13 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.465 1.103 . . . . 0.0 111.017 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.46 151.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 0.765 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 60.37 60.25 2.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.097 . . . . 0.0 110.312 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 92.0 m -119.14 -53.06 2.27 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.543 1.152 . . . . 0.0 110.44 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 28.0 t -55.16 -25.14 30.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.984 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -47.7 -50.13 25.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -144.04 54.25 1.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.243 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -83.63 -17.8 40.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.198 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.27 -55.1 5.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.601 1.188 . . . . 0.0 109.338 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.23 -42.12 39.47 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.429 ' HB3' ' CE2' ' A' ' 61' ' ' PHE . 83.1 mt -64.54 -43.58 93.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.118 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.59 -19.56 65.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.244 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -92.8 -9.5 40.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 109.364 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.5 mt -88.17 -29.6 5.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 109.293 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.8 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -115.34 38.48 3.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.142 . . . . 0.0 109.265 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.75 ' HB1' ' HA ' ' A' ' 82' ' ' PRO . . . -98.03 163.31 19.64 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.255 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.75 ' HA ' ' HB1' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -74.97 -0.94 17.38 Favored 'Cis proline' 0 C--N 1.361 1.185 0 C-N-CA 121.023 -2.491 . . . . 0.0 111.08 0.012 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.8 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -41.72 140.86 0.9 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.352 1.032 . . . . 0.0 109.276 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.402 ' O ' ' HA ' ' A' ' 58' ' ' GLN . 1.5 mt-10 -76.6 127.31 32.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.364 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.619 HD12 ' CG1' ' A' ' 59' ' ' ILE . 7.4 mm -113.7 154.42 15.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.589 1.18 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -134.58 -179.11 5.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 111.084 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.449 ' CG ' HD22 ' A' ' 2' ' ' LEU . 13.3 mt -112.99 151.25 30.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.477 HD22 ' CD1' ' A' ' 20' ' ' LEU . 51.9 tp -131.97 73.03 1.51 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -43.32 100.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 110.27 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 66.62 87.03 0.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.337 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 94' ' ' GLY . . . -73.53 -70.39 1.24 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.521 1.138 . . . . 0.0 111.073 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.6 tp -47.03 -38.8 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.462 0.742 . . . . 0.0 109.342 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.7 -31.11 46.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 91' ' ' GLY . . . -72.62 -30.47 64.1 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.501 1.126 . . . . 0.0 110.977 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.647 ' CZ3' HD13 ' A' ' 100' ' ' LEU . 32.1 t-105 -79.86 -39.08 31.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.04 0.35 45.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.259 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.98 -17.58 61.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.481 ' HB3' ' CD1' ' A' ' 100' ' ' LEU . . . -115.37 22.91 12.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 60.7 49.92 73.34 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.572 1.17 . . . . 0.0 111.022 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.647 HD13 ' CZ3' ' A' ' 95' ' ' TRP . 0.5 OUTLIER -133.48 99.25 14.51 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.506 0.768 . . . . 0.0 109.324 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 171.96 17.27 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.452 1.764 . . . . 0.0 111.056 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.461 HG12 ' HD3' ' A' ' 35' ' ' PRO . 35.2 m -84.03 -174.0 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.862 ' HB3' ' HB3' ' A' ' 33' ' ' HIS . . . -82.22 101.51 10.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.254 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.658 HG12 ' H ' ' A' ' 105' ' ' ASN . 2.0 t -96.65 179.69 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.658 ' H ' HG12 ' A' ' 104' ' ' VAL . 3.5 t-20 -47.33 -61.6 1.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.243 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.03 -75.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.604 1.19 . . . . 0.0 109.338 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 82.6 p -106.73 97.56 7.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.957 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 110.282 179.961 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.525 ' N ' ' H ' ' A' ' 85' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.537 HD23 ' N ' ' A' ' 2' ' ' LEU . 0.1 OUTLIER -91.24 69.25 6.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.552 ' HB ' ' CE2' ' A' ' 86' ' ' PHE . 1.8 m -111.27 166.22 11.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.415 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.466 HG23 ' HA ' ' A' ' 89' ' ' GLU . 22.6 m -148.87 137.07 20.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.583 1.177 . . . . 0.0 110.397 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.603 HD11 HD11 ' A' ' 60' ' ' ILE . 1.3 pp -148.16 172.28 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.093 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.1 m -76.46 152.39 83.49 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.608 1.192 . . . . 0.0 110.014 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.749 ' HA ' ' HB3' ' A' ' 10' ' ' ALA . 18.7 Cg_endo -74.92 -19.87 17.63 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.517 1.799 . . . . 0.0 111.079 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.24 -30.63 71.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.588 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -103.24 -21.25 13.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.898 ' O ' HD12 ' A' ' 14' ' ' ILE . . . -69.11 -28.32 66.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.623 1.202 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.2 tm0? -76.09 -0.24 21.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.58 1.175 . . . . 0.0 110.261 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -98.57 -49.4 4.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.615 1.197 . . . . 0.0 110.242 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.605 HD21 ' HA ' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -64.4 -40.79 96.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.389 1.056 . . . . 0.0 109.332 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.898 HD12 ' O ' ' A' ' 10' ' ' ALA . 9.3 mt -61.59 -44.94 99.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.419 1.074 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.2 -9.34 58.31 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.577 1.173 . . . . 0.0 109.235 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -91.25 -22.65 20.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.245 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 156.51 -32.73 0.58 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.537 1.148 . . . . 0.0 111.027 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.802 ' HB3' ' HA ' ' A' ' 14' ' ' ILE . . . -46.19 121.59 3.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 0.752 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.91 160.84 21.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.277 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.629 HD23 ' HB2' ' A' ' 37' ' ' ALA . 0.5 OUTLIER -117.17 152.82 33.96 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.578 HG22 ' CB ' ' A' ' 61' ' ' PHE . 0.8 OUTLIER -135.39 156.48 38.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.429 ' OD2' ' NH1' ' A' ' 24' ' ' ARG . 0.2 OUTLIER -119.14 121.72 40.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 109.348 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.543 HD11 ' HA ' ' A' ' 63' ' ' CYS . 7.6 pt -110.73 54.48 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.429 ' NH1' ' OD2' ' A' ' 22' ' ' ASP . 0.0 OUTLIER -138.33 -179.08 5.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.342 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.22 -175.62 0.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 30' ' ' LEU . . . -111.02 -35.62 5.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.081 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -47.99 -45.8 31.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.407 ' CD ' ' CD ' ' A' ' 24' ' ' ARG . 13.7 pt-20 -66.8 -29.08 68.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.446 1.092 . . . . 0.0 110.279 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.422 ' HB2' ' NH2' ' A' ' 24' ' ' ARG . 4.3 t80 -82.54 -23.22 34.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 111.051 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.737 HD13 ' C ' ' A' ' 30' ' ' LEU . 1.3 tm? -52.76 -39.23 62.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -94.44 -71.24 0.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.326 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -81.37 167.23 19.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 110.28 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.885 ' HB3' ' HB3' ' A' ' 103' ' ' ALA . 5.3 t-160 -132.24 -143.66 0.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.579 1.174 . . . . 0.0 109.595 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.784 ' CG2' ' HB3' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -158.41 163.86 23.05 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.586 ' HG3' ' CD1' ' A' ' 95' ' ' TRP . 18.1 Cg_endo -75.08 85.38 1.54 Allowed 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.619 1.852 . . . . 0.0 110.882 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 64.66 99.87 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.621 1.201 . . . . 0.0 110.268 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.784 ' HB3' ' CG2' ' A' ' 34' ' ' ILE . . . -175.42 -172.54 0.57 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.577 1.173 . . . . 0.0 109.257 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.51 129.87 3.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.79 135.3 19.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -174.63 74.5 0.32 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 109.359 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.1 163.1 35.78 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.431 1.753 . . . . 0.0 110.923 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 46' ' ' GLU . 4.0 pp -40.59 -38.36 0.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.0 m -52.79 -61.66 2.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.989 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.418 ' O ' ' N ' ' A' ' 48' ' ' SER . 50.8 t -71.19 -35.14 57.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.2 mt -65.98 -17.71 64.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.207 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.746 ' HG2' HD11 ' A' ' 79' ' ' ILE . 3.8 mt-10 -104.22 -46.53 4.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.13 -35.1 69.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 110.282 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 44' ' ' VAL . 3.7 t -98.32 -59.37 1.76 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 109.969 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 94.49 171.72 37.92 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.401 1.063 . . . . 0.0 111.048 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.472 HD23 ' CB ' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -49.58 105.9 0.56 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.493 0.76 . . . . 0.0 109.288 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.43 ' HD2' HD13 ' A' ' 50' ' ' LEU . 18.1 Cg_endo -74.89 179.95 5.55 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.493 1.786 . . . . 0.0 111.021 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -102.3 -9.05 20.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -86.55 -15.28 40.44 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.601 1.188 . . . . 0.0 109.323 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.8 mt -135.94 41.61 2.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.5 ttt85 -100.05 154.48 18.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.266 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -173.03 -154.22 0.07 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.137 . . . . 0.0 109.633 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -95.07 -52.69 4.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.371 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -135.54 110.06 8.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.316 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.592 HD11 ' CD1' ' A' ' 85' ' ' ILE . 1.8 pt -93.1 139.77 17.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.856 HG21 HD11 ' A' ' 14' ' ' ILE . 8.0 tt -127.44 128.08 69.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.578 ' CB ' HG22 ' A' ' 21' ' ' ILE . 29.3 p90 -142.17 -169.53 2.96 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.547 1.155 . . . . 0.0 111.001 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.567 ' CE1' ' HB3' ' A' ' 88' ' ' LEU . 0.0 OUTLIER -146.33 164.49 32.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.607 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.543 ' HA ' HD11 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -75.51 -68.7 0.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 108.224 -179.886 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.592 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 1.7 tt0 -167.08 -68.41 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.462 1.101 . . . . 0.0 110.288 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.592 ' HB2' ' O ' ' A' ' 64' ' ' GLN . . . 169.64 82.57 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 177.77 176.24 45.62 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 43.5 tttm -76.25 71.82 2.98 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.466 0.745 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.53 80.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 110.323 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.537 HG21 ' HA ' ' A' ' 90' ' ' ASP . 40.6 p -119.01 -5.6 10.53 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.393 1.058 . . . . 0.0 110.417 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.413 ' C ' ' N ' ' A' ' 72' ' ' ASN . 0.6 OUTLIER -67.43 -52.29 41.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.572 1.17 . . . . 0.0 110.039 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 45.65 26.17 0.32 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.39 1.056 . . . . 0.0 109.28 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.413 ' N ' ' C ' ' A' ' 70' ' ' SER . 3.5 m-80 65.28 63.12 0.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.366 1.041 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -47.51 -33.21 6.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.193 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -49.11 -49.51 41.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 79' ' ' ILE . 0.4 OUTLIER -68.82 -48.46 63.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.546 1.154 . . . . 0.0 109.394 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 80' ' ' ALA . 97.0 mt -51.96 -42.48 62.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -53.81 -52.13 61.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.11 -29.48 65.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.234 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.746 HD11 ' HG2' ' A' ' 46' ' ' GLU . 0.1 OUTLIER -68.77 -36.02 72.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.919 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.941 ' CB ' HD11 ' A' ' 85' ' ' ILE . . . -110.73 40.28 2.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.34 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.753 ' HB1' ' HA ' ' A' ' 82' ' ' PRO . . . -99.02 163.49 18.63 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.753 ' HA ' ' HB1' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -75.0 -1.35 17.79 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.972 -2.512 . . . . 0.0 111.0 -0.021 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.492 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -49.91 157.29 0.62 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -92.67 150.56 20.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.247 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.941 HD11 ' CB ' ' A' ' 80' ' ' ALA . 35.3 mm -120.33 166.04 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.087 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.6 ' CD1' ' O ' ' A' ' 85' ' ' ILE . 16.1 m-85 -161.43 170.0 20.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.1 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 37.1 mt -120.69 157.54 29.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.682 HD12 ' HB3' ' A' ' 7' ' ' PRO . 0.0 OUTLIER -96.33 37.44 1.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.466 ' HA ' HG23 ' A' ' 4' ' ' THR . 4.3 tt0 81.7 -72.35 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 110.246 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.537 ' HA ' HG21 ' A' ' 69' ' ' THR . 0.8 OUTLIER 160.34 121.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 86.14 104.55 0.75 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.434 1.084 . . . . 0.0 111.003 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.476 HG22 ' CB ' ' A' ' 62' ' ' HIS . 1.9 pp -56.94 -24.66 20.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.507 0.769 . . . . 0.0 109.394 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 97' ' ' LYS . 0.5 OUTLIER -41.21 -29.84 0.14 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.093 . . . . 0.0 109.304 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.417 ' N ' ' C ' ' A' ' 92' ' ' ILE . . . -48.99 -33.76 14.36 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.348 1.03 . . . . 0.0 110.971 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.611 ' CD1' ' O ' ' A' ' 100' ' ' LEU . 36.4 t-105 -63.52 -65.07 0.73 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.2 ptmm? -61.24 -17.49 53.61 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.443 1.089 . . . . 0.0 109.269 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 93' ' ' ASP . 9.5 tmtt? -63.6 -13.29 40.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.574 ' HB3' HD12 ' A' ' 100' ' ' LEU . . . -112.13 23.62 13.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.416 1.073 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 62.46 41.0 99.81 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.54 1.15 . . . . 0.0 110.906 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.611 ' O ' ' CD1' ' A' ' 95' ' ' TRP . 1.8 mt -136.27 98.62 11.29 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.441 0.73 . . . . 0.0 109.257 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -176.09 2.7 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.478 1.778 . . . . 0.0 110.952 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.546 HG12 ' HD3' ' A' ' 35' ' ' PRO . 17.7 m -90.53 -177.43 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.885 ' HB3' ' HB3' ' A' ' 33' ' ' HIS . . . -82.93 104.87 13.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.409 1.068 . . . . 0.0 109.242 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -102.3 178.82 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.585 1.178 . . . . 0.0 109.222 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 22.3 m-20 -59.41 118.67 6.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 109.279 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -49.72 175.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 26.8 p -94.79 129.4 41.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 109.967 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 -179.96 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.63 ' C ' HD12 ' A' ' 2' ' ' LEU . 0.1 OUTLIER -80.53 109.61 15.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.8 m -130.15 166.15 20.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 110.436 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.486 ' HB ' HD12 ' A' ' 87' ' ' LEU . 3.8 t -143.05 139.84 30.7 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.507 1.129 . . . . 0.0 110.44 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.2 pt -148.01 -176.51 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.428 1.08 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.42 161.63 78.15 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.547 1.154 . . . . 0.0 109.988 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.424 ' O ' ' N ' ' A' ' 11' ' ' GLN . 18.7 Cg_endo -74.89 -40.92 0.79 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.504 1.792 . . . . 0.0 111.064 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -54.16 -50.12 67.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.554 1.159 . . . . 0.0 109.621 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.99 -44.75 68.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.567 1.167 . . . . 0.0 109.328 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.475 ' O ' HD12 ' A' ' 14' ' ' ILE . . . -59.39 -25.96 64.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.224 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 7' ' ' PRO . 13.0 tp60 -72.49 -4.44 30.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 110.361 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -96.65 -31.73 12.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.18 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.472 ' N ' HD23 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -74.7 -49.87 19.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.152 . . . . 0.0 109.376 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.813 ' HA ' ' HB3' ' A' ' 18' ' ' ALA . 6.2 mt -61.56 -39.75 84.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.29 -4.42 39.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.599 1.187 . . . . 0.0 109.382 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -98.09 -19.38 17.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 110.336 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 152.44 -31.08 0.86 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.509 1.131 . . . . 0.0 111.004 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.813 ' HB3' ' HA ' ' A' ' 14' ' ' ILE . . . -46.43 139.73 4.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 109.341 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 1.012 ' HD3' HD23 ' A' ' 54' ' ' LEU . 0.2 OUTLIER -92.51 157.73 16.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.085 . . . . 0.0 109.249 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -128.43 123.52 33.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.602 HG23 ' HB3' ' A' ' 40' ' ' ALA . 3.2 mp -114.18 150.1 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.458 ' OD2' HD12 ' A' ' 34' ' ' ILE . 1.4 t0 -128.13 114.74 17.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.259 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.2 pt -89.77 42.57 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.532 ' HD3' ' CG ' ' A' ' 29' ' ' TYR . 4.5 ptp180 -98.16 -177.03 3.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.264 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.24 -171.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 109.273 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -106.13 -98.92 0.34 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.436 ' HA ' ' CB ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -68.4 -27.22 66.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -57.08 -40.84 77.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 110.318 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.532 ' CG ' ' HD3' ' A' ' 24' ' ' ARG . 0.4 OUTLIER -107.63 1.02 22.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 111.015 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.548 ' O ' HD12 ' A' ' 30' ' ' LEU . 2.1 tp -44.31 -25.61 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.911 ' O ' HG23 ' A' ' 104' ' ' VAL . 0.1 OUTLIER -44.55 -50.27 9.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.329 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.688 ' HB3' HG21 ' A' ' 102' ' ' VAL . 2.9 mm-40 -96.94 147.26 24.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 110.29 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.892 ' HB3' ' HB3' ' A' ' 103' ' ' ALA . 9.2 t60 -119.06 -13.02 9.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.578 1.174 . . . . 0.0 109.566 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.86 HG22 ' HB2' ' A' ' 37' ' ' ALA . 0.0 OUTLIER 56.9 156.24 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.52 ' HG3' ' CE2' ' A' ' 95' ' ' TRP . 18.3 Cg_endo -75.13 96.37 1.02 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.557 1.819 . . . . 0.0 110.965 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.419 ' HB3' ' O ' ' A' ' 35' ' ' PRO . 30.7 tt0 68.08 91.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.216 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.86 ' HB2' HG22 ' A' ' 34' ' ' ILE . . . -134.47 -174.71 3.65 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.733 ' CB ' HD21 ' A' ' 54' ' ' LEU . 0.4 OUTLIER -167.47 102.22 0.5 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 38' ' ' ASP . 0.2 OUTLIER -39.57 135.78 1.09 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.602 ' HB3' HG23 ' A' ' 21' ' ' ILE . . . -177.68 81.61 0.24 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.087 . . . . 0.0 109.322 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 42' ' ' LEU . 18.2 Cg_endo -75.07 148.38 34.95 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.43 1.753 . . . . 0.0 110.968 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 46' ' ' GLU . 0.9 OUTLIER -39.05 -41.06 0.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.095 . . . . 0.0 109.341 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -50.58 -60.76 2.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.978 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.503 ' O ' ' CB ' ' A' ' 48' ' ' SER . 57.8 t -69.68 -41.43 80.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.544 HD11 HG21 ' A' ' 21' ' ' ILE . 8.1 mt -57.95 -24.16 56.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 42' ' ' LEU . 2.5 mt-10 -95.62 -58.87 2.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.322 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.78 -24.62 62.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 110.28 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 44' ' ' VAL . 1.6 t -101.58 -48.49 4.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.564 1.165 . . . . 0.0 110.016 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 51' ' ' PRO . . . 85.9 177.46 50.12 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.552 1.158 . . . . 0.0 111.014 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 49' ' ' GLY . 1.7 tp -37.52 98.21 0.15 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.616 0.833 . . . . 0.0 109.309 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.447 ' N ' ' O ' ' A' ' 49' ' ' GLY . 18.2 Cg_endo -74.93 142.94 28.71 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.429 1.752 . . . . 0.0 110.967 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.94 -45.42 70.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.269 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.2 pttt -50.12 -23.34 2.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.419 1.074 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 1.012 HD23 ' HD3' ' A' ' 19' ' ' LYS . 2.5 mt -127.9 39.2 3.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 -111.35 131.03 55.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -159.59 -151.73 0.28 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.437 1.085 . . . . 0.0 109.635 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.78 -54.76 4.86 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.144 . . . . 0.0 110.324 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.514 ' HB3' ' CE2' ' A' ' 86' ' ' PHE . 1.8 mt-30 -135.34 119.06 17.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.603 1.189 . . . . 0.0 110.255 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.1 pt -100.33 179.0 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 109.263 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.447 ' CD1' ' HB2' ' A' ' 86' ' ' PHE . 21.5 mm -134.39 155.5 39.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.095 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.416 ' CZ ' HD13 ' A' ' 45' ' ' LEU . 1.9 m-85 -140.21 142.75 35.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 110.98 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.558 ' CE1' ' O ' ' A' ' 63' ' ' CYS . 0.0 OUTLIER -142.22 136.72 30.15 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 109.572 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.558 ' O ' ' CE1' ' A' ' 62' ' ' HIS . 0.1 OUTLIER -89.54 178.87 6.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 108.331 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -41.79 -59.61 1.63 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 110.278 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -141.38 59.32 1.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.253 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 41.89 -161.45 0.03 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.535 1.147 . . . . 0.0 111.015 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.15 61.35 2.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 0.787 . . . . 0.0 109.329 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.43 56.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.467 1.105 . . . . 0.0 110.274 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.586 HG21 HD22 ' A' ' 87' ' ' LEU . 1.9 p -120.35 -56.51 1.98 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.391 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 38.0 t -47.94 -32.25 6.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.974 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -47.03 -45.56 21.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -155.33 60.35 0.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.576 ' HB1' HD22 ' A' ' 2' ' ' LEU . . . -72.62 -34.81 67.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.71 -53.5 57.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.254 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.3 mmtm -51.22 -45.12 61.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 79.1 mt -61.7 -42.21 98.64 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.441 ' HA ' HD12 ' A' ' 85' ' ' ILE . . . -75.28 -5.03 42.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -117.92 11.95 13.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 2.9 mt -101.69 -34.07 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.832 ' HB3' HD11 ' A' ' 85' ' ' ILE . . . -123.85 48.71 1.84 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.754 ' HB1' ' HA ' ' A' ' 82' ' ' PRO . . . -102.88 163.63 17.18 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.754 ' HA ' ' HB1' ' A' ' 81' ' ' ALA . 18.1 Cg_endo -75.06 -0.64 17.48 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 120.978 -2.509 . . . . 0.0 110.957 0.057 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.682 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -41.42 159.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -88.56 153.7 20.93 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.597 1.185 . . . . 0.0 110.254 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.832 HD11 ' HB3' ' A' ' 80' ' ' ALA . 5.8 mt -144.59 154.56 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.566 ' CD1' ' O ' ' A' ' 85' ' ' ILE . 21.9 m-85 -145.29 147.04 31.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 111.064 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.586 HD22 HG21 ' A' ' 69' ' ' THR . 19.5 mt -82.67 159.11 22.71 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.4 1.063 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -122.51 91.34 3.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.596 1.185 . . . . 0.0 109.353 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -39.78 112.45 0.26 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.427 1.08 . . . . 0.0 110.298 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 60.8 116.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -75.04 -98.33 0.11 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.512 1.132 . . . . 0.0 110.932 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 10.9 mm -54.36 -55.09 16.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.485 0.756 . . . . 0.0 109.29 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.41 -26.77 8.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -75.98 -49.88 8.26 Favored Glycine 0 CA--C 1.529 0.914 0 O-C-N 124.563 1.164 . . . . 0.0 111.061 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.52 ' CE2' ' HG3' ' A' ' 35' ' ' PRO . 46.7 t-105 -67.89 -37.75 82.16 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.14 0.5 44.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.573 1.171 . . . . 0.0 109.279 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -14.43 42.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.918 ' HB3' HD12 ' A' ' 100' ' ' LEU . . . -126.92 27.35 6.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.455 1.097 . . . . 0.0 109.341 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 55.52 44.96 85.64 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.47 1.106 . . . . 0.0 110.995 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.918 HD12 ' HB3' ' A' ' 98' ' ' ALA . 2.6 mt -111.0 111.82 55.99 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.452 0.736 . . . . 0.0 109.367 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 160.75 39.81 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.456 1.766 . . . . 0.0 110.986 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.688 HG21 ' HB3' ' A' ' 32' ' ' GLU . 18.7 m -91.37 -163.36 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.892 ' HB3' ' HB3' ' A' ' 33' ' ' HIS . . . -96.99 73.4 2.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.911 HG23 ' O ' ' A' ' 31' ' ' ARG . 4.2 p -83.91 -143.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.59 1.181 . . . . 0.0 109.263 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.776 ' N ' HG13 ' A' ' 104' ' ' VAL . 4.3 m-20 -140.91 99.84 3.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -76.15 106.26 7.66 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.428 1.08 . . . . 0.0 109.345 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 27.9 p -125.71 83.56 2.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.01 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.338 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.561 HD13 ' HB ' ' A' ' 85' ' ' ILE . 5.4 mt -65.49 -98.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.612 1.195 . . . . 0.0 109.297 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.948 HG21 ' CE2' ' A' ' 86' ' ' PHE . 13.4 m -146.6 171.02 15.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.378 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.426 HG22 ' N ' ' A' ' 5' ' ' ILE . 8.4 m -140.56 166.08 25.7 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 0.0 110.493 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.426 ' N ' HG22 ' A' ' 4' ' ' THR . 5.3 tt -173.0 171.48 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -110.05 152.52 43.13 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.012 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 82.66 1.96 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.505 1.792 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -167.76 -51.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.582 1.176 . . . . 0.0 109.598 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.92 -26.58 15.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.562 ' HA ' HD21 ' A' ' 13' ' ' LEU . . . -61.26 -24.14 66.16 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.447 1.092 . . . . 0.0 109.247 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -77.05 -0.39 24.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.243 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -101.11 -48.19 4.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.354 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.562 HD21 ' HA ' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -66.95 -34.81 78.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.265 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.862 ' HA ' ' HB3' ' A' ' 18' ' ' ALA . 49.7 mt -65.95 -46.97 86.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.38 -6.61 44.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.218 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.3 mtp-105 -95.21 -21.98 18.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 165.36 -44.15 0.29 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.492 1.12 . . . . 0.0 110.965 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.862 ' HB3' ' HA ' ' A' ' 14' ' ' ILE . . . -43.44 125.97 4.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 0.0 109.28 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.95 152.78 18.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.769 HD12 ' CG2' ' A' ' 60' ' ' ILE . 0.5 OUTLIER -119.16 118.42 31.31 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.445 1.091 . . . . 0.0 109.293 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.5 mp -103.43 146.29 11.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.322 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.85 108.99 17.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.437 HG22 ' HA ' ' A' ' 41' ' ' PRO . 8.8 pt -105.19 49.83 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.1 ptt180 -117.48 -176.0 2.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.43 1.081 . . . . 0.0 110.301 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.02 151.02 19.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' A' ' 29' ' ' TYR . . . -77.53 -44.21 29.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.267 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -52.28 -28.39 18.73 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 109.374 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -73.05 -26.97 61.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.28 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.404 ' N ' ' O ' ' A' ' 26' ' ' ALA . 34.9 t80 -91.09 -19.03 23.58 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 tp -50.35 -40.53 49.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.2 mtm180 -101.56 -73.4 0.65 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.753 ' HB3' HG21 ' A' ' 102' ' ' VAL . 35.9 mt-10 -57.9 155.75 10.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.444 1.09 . . . . 0.0 110.304 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.466 ' O ' ' C ' ' A' ' 34' ' ' ILE . 2.8 t60 -164.86 85.14 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.568 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.856 HG23 ' HD2' ' A' ' 35' ' ' PRO . 52.6 mt -35.98 145.64 0.22 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.545 1.153 . . . . 0.0 109.262 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.856 ' HD2' HG23 ' A' ' 34' ' ' ILE . 18.2 Cg_endo -75.0 27.67 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.47 1.774 . . . . 0.0 110.949 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.509 ' H ' ' C ' ' A' ' 34' ' ' ILE . 2.6 tt0 173.12 76.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.276 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -163.43 176.02 10.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -162.25 120.03 2.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.597 HD13 ' HD3' ' A' ' 41' ' ' PRO . 0.2 OUTLIER -47.18 138.04 7.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.546 ' HB2' ' O ' ' A' ' 39' ' ' LEU . . . 173.33 79.54 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.597 ' HD3' HD13 ' A' ' 39' ' ' LEU . 18.1 Cg_endo -75.04 151.71 39.69 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.55 1.816 . . . . 0.0 110.961 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 46' ' ' GLU . 0.8 OUTLIER -41.45 -40.19 1.71 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.373 1.046 . . . . 0.0 109.278 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.409 ' N ' ' HG ' ' A' ' 42' ' ' LEU . 2.7 m -51.65 -56.55 13.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 110.031 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.488 ' O ' ' CB ' ' A' ' 48' ' ' SER . 61.8 t -72.08 -43.7 66.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.481 HD12 ' O ' ' A' ' 40' ' ' ALA . 6.5 mt -58.7 -21.09 53.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.356 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 42' ' ' LEU . 2.3 mt-10 -86.18 -63.89 1.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.282 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.94 -19.79 63.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.412 1.07 . . . . 0.0 110.26 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 44' ' ' VAL . 8.4 t -100.68 -44.77 5.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.981 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 51' ' ' PRO . . . 84.1 146.04 7.17 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.432 1.082 . . . . 0.0 111.035 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 49' ' ' GLY . 4.6 tp -37.84 98.72 0.17 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.536 0.786 . . . . 0.0 109.287 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.441 ' N ' ' O ' ' A' ' 49' ' ' GLY . 18.2 Cg_endo -75.03 158.67 41.97 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.484 1.781 . . . . 0.0 111.066 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.54 -36.8 71.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.297 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.01 -22.32 10.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.7 mt -131.43 39.87 3.47 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.556 1.16 . . . . 0.0 109.249 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.6 ttt180 -115.06 134.45 55.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 110.407 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -150.43 -165.57 2.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.589 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -81.39 -51.73 8.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.417 1.073 . . . . 0.0 110.312 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -141.51 91.45 2.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -86.73 172.51 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.769 ' CG2' HD12 ' A' ' 20' ' ' LEU . 10.7 tt -120.36 169.73 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.512 ' CE2' HD22 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -140.14 160.71 39.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.4 1.062 . . . . 0.0 110.979 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.623 ' CD2' HD21 ' A' ' 20' ' ' LEU . 2.6 p80 -172.93 152.39 2.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.59 1.181 . . . . 0.0 109.605 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 20.2 p -106.53 -157.27 0.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 108.273 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -41.05 -52.65 3.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.31 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -163.92 58.83 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 37.95 92.13 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 110.964 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.79 68.15 1.5 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.412 0.713 . . . . 0.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 73.07 99.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 48.7 p -115.76 -35.23 4.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 110.464 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.0 t -56.73 -19.35 16.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.972 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -52.9 -45.94 67.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -146.15 55.22 1.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.348 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.492 ' HB1' HD21 ' A' ' 87' ' ' LEU . . . -88.36 -30.56 19.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.75 -36.63 26.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.51 -37.8 85.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.512 HD22 ' CE2' ' A' ' 61' ' ' PHE . 82.6 mt -61.45 -43.92 98.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.347 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.571 ' O ' ' HB2' ' A' ' 81' ' ' ALA . . . -55.26 -50.38 69.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.18 -26.81 66.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.226 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -72.47 -32.55 42.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.317 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.608 ' CB ' HD11 ' A' ' 85' ' ' ILE . . . -124.19 48.78 1.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.754 ' HB1' ' HA ' ' A' ' 82' ' ' PRO . . . -105.84 163.48 16.98 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.754 ' HA ' ' HB1' ' A' ' 81' ' ' ALA . 17.9 Cg_endo -75.09 -4.68 21.02 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 120.95 -2.521 . . . . 0.0 111.001 0.131 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -41.79 139.8 1.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.397 1.06 . . . . 0.0 109.234 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.41 ' O ' HD13 ' A' ' 85' ' ' ILE . 1.8 mt-10 -77.16 136.99 38.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 110.274 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.608 HD11 ' CB ' ' A' ' 80' ' ' ALA . 10.9 mm -118.41 156.31 20.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.633 1.208 . . . . 0.0 109.256 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.948 ' CE2' HG21 ' A' ' 3' ' ' THR . 6.2 m-85 -135.85 166.83 22.39 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.467 1.104 . . . . 0.0 110.98 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.492 HD21 ' HB1' ' A' ' 73' ' ' ALA . 7.6 mt -115.57 150.5 36.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.24 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 89' ' ' GLU . 12.5 tp -121.08 115.78 23.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 88' ' ' LEU . 0.5 OUTLIER -38.15 -40.62 0.52 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.457 ' CB ' ' HB3' ' A' ' 93' ' ' ASP . 1.1 m-20 -157.79 134.34 9.73 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.495 1.122 . . . . 0.0 109.225 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.4 ' HA2' HD23 ' A' ' 88' ' ' LEU . . . -80.92 -83.25 0.76 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.478 1.111 . . . . 0.0 110.929 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.592 ' CD1' HG11 ' A' ' 102' ' ' VAL . 6.5 mm -55.17 -43.18 69.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.463 0.743 . . . . 0.0 109.287 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.457 ' HB3' ' CB ' ' A' ' 90' ' ' ASP . 0.8 OUTLIER -63.73 -12.93 39.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 109.27 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.453 ' O ' ' CB ' ' A' ' 97' ' ' LYS . . . -81.78 -55.73 3.1 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.615 1.197 . . . . 0.0 111.033 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.819 ' O ' HD12 ' A' ' 100' ' ' LEU . 29.5 t-105 -65.62 -39.97 92.07 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.445 ' CG ' ' HA ' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -78.29 0.11 26.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.336 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.453 ' CB ' ' O ' ' A' ' 94' ' ' GLY . 3.2 tptm -62.43 -21.21 65.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 1.075 ' HB3' ' CD1' ' A' ' 100' ' ' LEU . . . -120.49 28.48 7.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.597 1.185 . . . . 0.0 109.236 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 61.33 35.54 91.11 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.578 1.174 . . . . 0.0 110.988 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 1.075 ' CD1' ' HB3' ' A' ' 98' ' ' ALA . 0.2 OUTLIER -108.72 110.05 61.25 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.449 0.735 . . . . 0.0 109.349 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.429 ' O ' ' NE1' ' A' ' 95' ' ' TRP . 18.4 Cg_endo -74.94 156.01 43.26 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.475 1.776 . . . . 0.0 111.013 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.753 HG21 ' HB3' ' A' ' 32' ' ' GLU . 17.0 m -76.4 -179.08 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.595 1.185 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 33' ' ' HIS . . . -79.37 79.26 5.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.661 HG22 HG23 ' A' ' 102' ' ' VAL . 1.6 t -91.16 170.14 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.434 1.083 . . . . 0.0 109.345 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.424 ' H ' HG12 ' A' ' 104' ' ' VAL . 6.1 p30 -66.04 106.89 1.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.375 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.39 -62.32 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 10.9 p -153.07 100.28 2.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.61 1.194 . . . . 0.0 109.979 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.9 pp0? . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 110.312 179.934 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.432 HD23 ' H ' ' A' ' 2' ' ' LEU . 0.1 OUTLIER -56.19 101.42 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.55 1.156 . . . . 0.0 109.368 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.568 ' HB ' ' CE2' ' A' ' 86' ' ' PHE . 1.6 m -127.78 165.33 20.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.37 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.539 ' O ' HG23 ' A' ' 5' ' ' ILE . 1.8 m -124.2 153.29 41.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.419 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.539 HG23 ' O ' ' A' ' 4' ' ' THR . 2.3 pp -154.5 -172.6 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.591 1.182 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -97.31 152.87 38.49 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.077 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.478 ' CB ' ' HA3' ' A' ' 94' ' ' GLY . 18.0 Cg_endo -74.98 -51.49 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.465 1.771 . . . . 0.0 110.937 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -47.76 -32.86 6.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.415 1.072 . . . . 0.0 109.611 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.8 -34.17 21.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 109.369 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.884 ' O ' HD12 ' A' ' 14' ' ' ILE . . . -62.04 -27.87 69.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.195 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.5 tm0? -76.42 -0.3 22.31 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.601 1.188 . . . . 0.0 110.325 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -104.79 -32.49 8.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.374 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.608 ' N ' HD23 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -76.76 -44.32 33.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.15 . . . . 0.0 109.29 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.884 HD12 ' O ' ' A' ' 10' ' ' ALA . 6.0 mt -64.2 -38.5 82.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.79 -7.88 58.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.415 1.072 . . . . 0.0 109.238 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.12 -22.78 18.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 110.263 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 151.52 -23.5 0.95 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.482 ' HB3' ' HA ' ' A' ' 14' ' ' ILE . . . -56.23 146.86 22.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 0.753 . . . . 0.0 109.305 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.449 ' HD2' HD23 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -111.91 161.38 16.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.761 HD12 ' HB ' ' A' ' 60' ' ' ILE . 0.5 OUTLIER -126.57 152.57 46.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 109.255 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.888 ' CG2' ' HB3' ' A' ' 40' ' ' ALA . 16.9 mm -139.78 115.86 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.429 1.081 . . . . 0.0 109.353 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.479 ' OD2' ' HB1' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -90.6 147.55 23.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.438 HD12 ' O ' ' A' ' 23' ' ' ILE . 1.1 pp -106.67 46.21 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.4 ptp180 -105.7 -174.3 2.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 110.353 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -76.59 -173.97 2.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.133 . . . . 0.0 109.326 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 29' ' ' TYR . . . -91.73 -61.33 1.66 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -42.11 -45.75 4.08 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.409 ' O ' ' O ' ' A' ' 32' ' ' GLU . 1.6 mt-10 -51.88 -42.95 63.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.356 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.443 ' N ' ' O ' ' A' ' 26' ' ' ALA . 9.7 t80 -78.35 -24.13 46.6 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.449 1.093 . . . . 0.0 111.023 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.739 HD23 ' O ' ' A' ' 30' ' ' LEU . 5.7 tt -44.41 -31.35 1.04 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.231 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.44 -86.78 0.62 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 110.224 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.467 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 1.7 pm0 -92.86 155.03 17.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.299 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.591 ' NE2' ' HB3' ' A' ' 103' ' ' ALA . 2.3 p-80 -156.0 -104.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 109.523 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.949 HG22 ' HB3' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -149.43 163.63 24.31 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.239 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.553 ' HG3' ' CE2' ' A' ' 95' ' ' TRP . 18.4 Cg_endo -75.0 93.13 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.54 1.811 . . . . 0.0 111.034 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.43 ' CB ' ' O ' ' A' ' 35' ' ' PRO . 27.1 tt0 80.97 76.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.252 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.949 ' HB3' HG22 ' A' ' 34' ' ' ILE . . . -171.17 169.15 6.56 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.533 1.146 . . . . 0.0 109.205 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -147.83 123.44 10.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.576 HD22 ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -41.43 137.35 1.52 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.888 ' HB3' ' CG2' ' A' ' 21' ' ' ILE . . . -163.89 78.35 1.58 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 42' ' ' LEU . 18.3 Cg_endo -75.14 162.01 37.45 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.411 1.742 . . . . 0.0 111.007 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.503 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 2.0 pp -38.21 -36.09 0.2 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.587 1.179 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.9 -58.72 6.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.62 1.2 . . . . 0.0 110.021 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.511 ' O ' ' CB ' ' A' ' 48' ' ' SER . 0.9 OUTLIER -72.09 -41.06 67.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.433 HD11 ' CZ ' ' A' ' 61' ' ' PHE . 39.2 mt -63.99 -14.0 50.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' A' ' 42' ' ' LEU . 3.4 mm-40 -99.71 -63.01 1.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.607 1.192 . . . . 0.0 110.337 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -42.55 85.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.339 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.511 ' CB ' ' O ' ' A' ' 44' ' ' VAL . 0.8 OUTLIER -82.5 -55.86 4.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.397 1.061 . . . . 0.0 109.999 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 51' ' ' PRO . . . 81.95 166.46 37.62 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.451 1.095 . . . . 0.0 111.033 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.585 HD12 ' HA ' ' A' ' 80' ' ' ALA . 1.3 tt -37.91 98.51 0.16 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.583 0.814 . . . . 0.0 109.301 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.437 ' N ' ' O ' ' A' ' 49' ' ' GLY . 18.6 Cg_endo -74.91 135.89 19.87 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.535 1.808 . . . . 0.0 111.047 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.81 -42.99 85.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.376 1.048 . . . . 0.0 109.26 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.36 -22.31 2.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.449 HD23 ' HD2' ' A' ' 19' ' ' LYS . 2.8 mt -131.23 39.56 3.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.42 ' NH2' ' HD2' ' A' ' 82' ' ' PRO . 41.2 ttt180 -112.15 134.72 53.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 110.223 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -142.02 -163.34 1.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.618 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.39 -58.59 2.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 110.283 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.549 ' CD ' ' CE1' ' A' ' 86' ' ' PHE . 14.0 tt0 -128.0 100.83 6.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 110.319 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.1 pt -95.85 176.31 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.761 ' HB ' HD12 ' A' ' 20' ' ' LEU . 64.9 mt -133.53 162.08 40.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.366 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.515 ' CD1' ' O ' ' A' ' 21' ' ' ILE . 1.0 OUTLIER -139.12 143.67 38.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.422 1.076 . . . . 0.0 111.014 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -140.53 131.99 26.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 109.581 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.698 ' SG ' HG22 ' A' ' 69' ' ' THR . 86.6 m -81.5 -72.26 0.44 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.118 . . . . 0.0 108.276 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -170.65 -42.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.321 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -160.39 48.98 0.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.06 -71.66 1.94 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.504 1.128 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 60.07 -93.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 0.755 . . . . 0.0 109.242 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.32 86.67 0.26 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.499 1.124 . . . . 0.0 110.284 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.698 HG22 ' SG ' ' A' ' 63' ' ' CYS . 52.1 p -91.26 -27.64 18.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 110.453 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 48.3 t -64.86 -18.81 65.49 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.111 . . . . 0.0 110.061 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.439 ' O ' ' ND2' ' A' ' 72' ' ' ASN . 28.4 t30 -52.92 -43.3 66.15 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.494 1.121 . . . . 0.0 109.21 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 71' ' ' ASN . 18.5 m120 -151.18 57.35 0.9 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.428 1.08 . . . . 0.0 109.244 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -82.45 -15.78 51.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.595 1.184 . . . . 0.0 109.325 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -75.97 -36.91 59.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.405 1.066 . . . . 0.0 109.325 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -65.39 -47.7 75.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.345 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 85.5 mt -59.6 -42.86 93.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.558 ' O ' ' HB2' ' A' ' 81' ' ' ALA . . . -65.29 -27.06 68.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.58 1.175 . . . . 0.0 109.258 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -89.47 -20.15 24.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.279 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.444 ' N ' ' O ' ' A' ' 75' ' ' LYS . 0.1 OUTLIER -75.34 -40.01 42.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.963 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -107.85 37.75 2.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.763 ' HB1' ' HA ' ' A' ' 82' ' ' PRO . . . -95.75 163.51 21.07 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.763 ' HA ' ' HB1' ' A' ' 81' ' ' ALA . 17.9 Cg_endo -74.99 0.3 16.59 Favored 'Cis proline' 0 C--N 1.36 1.178 0 C-N-CA 121.044 -2.482 . . . . 0.0 110.931 0.061 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.963 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -39.86 141.75 0.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.423 1.077 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -80.8 117.37 21.4 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.517 1.136 . . . . 0.0 110.334 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.9 mm -104.57 154.19 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.568 ' CE2' ' HB ' ' A' ' 3' ' ' THR . 8.2 m-85 -142.04 161.76 37.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 111.032 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -125.24 150.49 46.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.074 . . . . 0.0 109.353 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.25 146.88 50.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.418 ' HB3' ' CG2' ' A' ' 4' ' ' THR . 0.0 OUTLIER -76.52 60.55 1.63 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 110.342 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 62.18 139.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 67.67 108.11 0.02 OUTLIER Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.486 1.117 . . . . 0.0 111.039 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.819 ' O ' HD12 ' A' ' 92' ' ' ILE . 0.6 OUTLIER -73.39 -4.79 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 0.753 . . . . 0.0 109.329 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.514 ' O ' ' N ' ' A' ' 95' ' ' TRP . 11.6 m-20 -40.22 -90.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.378 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.478 ' HA3' ' CB ' ' A' ' 7' ' ' PRO . . . 33.71 -92.62 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.573 1.171 . . . . 0.0 110.926 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.594 ' CZ2' ' HB3' ' A' ' 100' ' ' LEU . 15.8 t-105 -39.28 -71.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.498 ' CG ' ' HA ' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -52.56 -32.04 38.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 94' ' ' GLY . 15.9 tttm -56.26 -23.34 35.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.824 ' HB3' HD12 ' A' ' 100' ' ' LEU . . . -90.01 12.27 18.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 67.2 47.81 62.32 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.451 1.095 . . . . 0.0 111.038 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.824 HD12 ' HB3' ' A' ' 98' ' ' ALA . 0.8 OUTLIER -137.46 118.25 10.63 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.495 0.762 . . . . 0.0 109.269 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 172.96 15.35 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.488 1.783 . . . . 0.0 111.008 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.467 ' CG2' ' HB2' ' A' ' 32' ' ' GLU . 15.6 m -79.85 -178.24 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.595 1.185 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.591 ' HB3' ' NE2' ' A' ' 33' ' ' HIS . . . -80.17 115.85 19.95 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.621 HG12 ' H ' ' A' ' 105' ' ' ASN . 1.1 t -113.82 -172.15 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.435 1.084 . . . . 0.0 109.299 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.621 ' H ' HG12 ' A' ' 104' ' ' VAL . 24.3 t30 44.14 90.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 109.248 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 7.6 tttt -156.34 61.53 0.56 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.446 1.091 . . . . 0.0 109.294 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.2 t -109.71 90.68 3.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.398 1.061 . . . . 0.0 110.028 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 110.248 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.615 HD11 ' HA ' ' A' ' 74' ' ' ASP . 0.2 OUTLIER -52.55 101.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.366 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.564 ' HB ' ' CD2' ' A' ' 86' ' ' PHE . 2.2 m -132.8 166.39 22.37 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.575 1.172 . . . . 0.0 110.401 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.5 t -160.43 145.26 14.5 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.12 . . . . 0.0 110.459 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 29.2 pt -147.03 -171.61 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.242 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.8 p -94.57 157.69 36.71 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.002 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 60.3 5.47 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.473 1.775 . . . . 0.0 110.983 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -140.56 -47.24 0.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.55 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.84 -28.99 16.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.83 -23.85 65.4 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.418 1.074 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.32 -3.74 35.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -96.13 -29.66 13.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.561 1.163 . . . . 0.0 110.256 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.443 ' N ' HD23 ' A' ' 13' ' ' LEU . 0.5 OUTLIER -79.13 -43.53 23.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.598 1.186 . . . . 0.0 109.314 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.407 ' HA ' ' O ' ' A' ' 18' ' ' ALA . 20.4 mm -65.02 -38.44 82.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.229 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.11 -3.04 47.14 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 109.393 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.85 -20.73 19.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.258 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 146.12 -17.14 1.73 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.446 1.091 . . . . 0.0 110.985 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.407 ' O ' ' HA ' ' A' ' 14' ' ' ILE . . . -66.38 144.6 56.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 0.774 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.498 ' CD ' HD23 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -92.04 167.03 12.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.372 179.902 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.541 HD23 ' HB2' ' A' ' 37' ' ' ALA . 0.9 OUTLIER -131.61 129.07 40.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.639 HD12 HD11 ' A' ' 59' ' ' ILE . 16.7 mt -132.49 155.73 41.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.434 1.084 . . . . 0.0 109.29 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -148.13 147.44 29.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 25.4 pt -94.74 43.21 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 -63.34 -178.46 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 110.276 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.424 ' CG ' ' N ' ' A' ' 26' ' ' ALA . 10.1 t70 -100.24 168.42 9.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.282 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.424 ' N ' ' CG ' ' A' ' 25' ' ' ASP . . . -68.16 -61.62 1.77 Allowed 'General case' 0 C--N 1.323 -0.582 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.411 ' N ' ' OD1' ' A' ' 25' ' ' ASP . 0.0 OUTLIER -54.09 -26.65 28.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -78.15 -14.36 59.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.227 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -104.63 -2.44 25.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.7 tp -62.3 -56.32 19.67 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -89.93 -64.42 1.14 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 110.327 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.929 ' HB3' HG21 ' A' ' 102' ' ' VAL . 46.3 mt-10 -76.4 155.45 34.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.318 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.804 ' HB2' ' HB3' ' A' ' 103' ' ' ALA . 79.2 m-70 -141.49 15.66 2.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.67 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.755 ' CG2' ' HB3' ' A' ' 37' ' ' ALA . 0.0 OUTLIER 55.39 163.63 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.605 ' HG3' ' CD1' ' A' ' 95' ' ' TRP . 18.3 Cg_endo -75.0 101.03 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.554 1.818 . . . . 0.0 111.034 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.442 ' O ' ' O ' ' A' ' 35' ' ' PRO . 2.8 tp10 42.41 96.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.582 1.176 . . . . 0.0 110.318 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.755 ' HB3' ' CG2' ' A' ' 34' ' ' ILE . . . -160.75 -174.07 4.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -150.36 125.99 10.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.78 143.34 42.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.471 ' HB3' ' CG2' ' A' ' 21' ' ' ILE . . . -169.83 69.52 0.62 Allowed Pre-proline 0 C--N 1.323 -0.55 0 O-C-N 124.534 1.146 . . . . 0.0 109.363 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 42' ' ' LEU . 17.9 Cg_endo -75.08 159.03 41.56 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.578 1.831 . . . . 0.0 110.954 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 46' ' ' GLU . 1.4 pp -39.53 -37.63 0.5 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.67 -54.5 40.84 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.503 1.127 . . . . 0.0 109.928 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 48' ' ' SER . 73.6 t -74.35 -36.96 44.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.528 HD22 ' CG2' ' A' ' 79' ' ' ILE . 10.2 mt -66.59 -17.03 64.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.221 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 42' ' ' LEU . 2.1 mt-10 -100.43 -42.85 6.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.148 . . . . 0.0 110.244 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.81 -26.36 54.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.428 1.08 . . . . 0.0 110.235 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -124.48 -63.74 1.17 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.145 . . . . 0.0 109.959 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 51' ' ' PRO . . . 95.03 179.25 37.31 Favored Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.441 1.088 . . . . 0.0 111.023 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.673 HD21 ' HG3' ' A' ' 55' ' ' ARG . 6.5 tp -38.01 98.7 0.17 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.478 0.752 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.439 ' N ' ' O ' ' A' ' 49' ' ' GLY . 18.2 Cg_endo -75.04 131.19 13.96 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.492 1.785 . . . . 0.0 110.965 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.17 -40.42 70.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.357 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.41 -22.94 2.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.498 HD23 ' CD ' ' A' ' 19' ' ' LYS . 2.8 mt -130.27 39.71 3.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.673 ' HG3' HD21 ' A' ' 50' ' ' LEU . 19.8 ttt180 -123.18 143.74 49.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.244 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -162.36 -161.32 0.73 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.623 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -57.18 -48.94 77.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.327 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -144.74 148.38 34.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 110.301 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.639 HD11 HD12 ' A' ' 21' ' ' ILE . 11.3 tt -144.45 164.46 13.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.363 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.525 HG22 ' HA ' ' A' ' 20' ' ' LEU . 1.2 tt -111.26 -174.82 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.573 ' CE1' HG22 ' A' ' 21' ' ' ILE . 0.5 OUTLIER -173.12 144.08 1.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.647 ' NE2' HD23 ' A' ' 88' ' ' LEU . 0.2 OUTLIER -113.31 -175.28 2.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.578 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.744 ' CB ' HG22 ' A' ' 69' ' ' THR . 24.3 t -156.05 69.94 0.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 0.0 108.355 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.408 ' CB ' ' O ' ' A' ' 63' ' ' CYS . 0.0 OUTLIER 80.05 -70.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -170.01 65.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 39.55 72.01 0.24 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.539 1.149 . . . . 0.0 111.012 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.43 -85.78 0.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 0.771 . . . . 0.0 109.253 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.92 72.04 1.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 110.296 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.744 HG22 ' CB ' ' A' ' 63' ' ' CYS . 23.3 p -66.42 -33.51 75.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.446 1.091 . . . . 0.0 110.367 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.4 t -44.38 -29.74 0.73 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 110.072 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -51.01 -63.7 1.04 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 0.0 109.218 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -130.81 47.36 2.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.632 ' HB2' ' O ' ' A' ' 69' ' ' THR . . . -94.08 -11.59 30.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.384 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.615 ' HA ' HD11 ' A' ' 2' ' ' LEU . 0.5 OUTLIER -74.88 -43.38 54.71 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.467 ' CG ' ' N ' ' A' ' 76' ' ' LEU . 37.4 pttt -62.1 -51.96 65.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.467 ' N ' ' CG ' ' A' ' 75' ' ' LYS . 81.0 mt -44.82 -48.7 11.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.423 1.077 . . . . 0.0 109.332 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.83 -59.29 5.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.84 -36.62 65.23 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.552 1.157 . . . . 0.0 109.228 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.528 ' CG2' HD22 ' A' ' 45' ' ' LEU . 8.9 mt -63.46 -27.93 43.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.281 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.694 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -117.79 42.02 2.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.856 ' HB1' ' HA ' ' A' ' 82' ' ' PRO . . . -134.61 166.06 32.03 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.856 ' HA ' ' HB1' ' A' ' 81' ' ' ALA . 18.0 Cg_endo -75.13 117.08 4.45 Favored 'Cis proline' 0 C--N 1.359 1.13 0 C-N-CA 121.008 -2.497 . . . . 0.0 110.941 0.109 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.694 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -161.92 160.06 27.41 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.365 1.041 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -81.33 93.72 6.61 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.525 HG13 ' HB3' ' A' ' 80' ' ' ALA . 13.1 mm -101.05 158.72 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.343 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.564 ' CD2' ' HB ' ' A' ' 3' ' ' THR . 48.0 m-85 -148.01 155.84 41.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.595 HD11 HD23 ' A' ' 2' ' ' LEU . 0.2 OUTLIER -118.6 148.52 42.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.312 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.647 HD23 ' NE2' ' A' ' 62' ' ' HIS . 10.0 tp -114.85 65.93 0.68 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.536 1.147 . . . . 0.0 109.356 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -69.18 75.49 0.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.299 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -159.41 130.1 5.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 93' ' ' ASP . . . -37.01 105.68 0.04 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.548 1.155 . . . . 0.0 110.947 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.433 ' C ' ' O ' ' A' ' 91' ' ' GLY . 3.3 tp -37.73 -32.93 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.44 0.729 . . . . 0.0 109.209 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 91' ' ' GLY . 1.5 m-20 -40.85 -30.83 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.344 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.428 ' N ' ' C ' ' A' ' 92' ' ' ILE . . . -45.41 -45.45 11.42 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.627 1.204 . . . . 0.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.605 ' CD1' ' HG3' ' A' ' 35' ' ' PRO . 37.6 t-105 -48.42 -70.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.2 tttt -55.15 -27.57 46.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.261 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -56.4 -18.15 10.22 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.703 ' HB3' HD12 ' A' ' 100' ' ' LEU . . . -106.39 22.93 14.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 59.07 45.16 95.67 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.451 1.094 . . . . 0.0 111.04 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.703 HD12 ' HB3' ' A' ' 98' ' ' ALA . 1.2 mt -137.95 105.42 8.1 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.523 0.778 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 174.65 12.43 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.517 1.798 . . . . 0.0 111.013 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.929 HG21 ' HB3' ' A' ' 32' ' ' GLU . 20.7 m -81.04 -172.7 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.439 1.087 . . . . 0.0 109.374 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.804 ' HB3' ' HB2' ' A' ' 33' ' ' HIS . . . -83.46 77.02 9.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.574 1.171 . . . . 0.0 109.347 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.623 HG12 ' H ' ' A' ' 105' ' ' ASN . 3.1 t -83.66 174.46 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.623 ' H ' HG12 ' A' ' 104' ' ' VAL . 33.6 m-80 -77.9 -70.75 0.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.418 1.074 . . . . 0.0 109.356 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.51 85.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.228 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 105' ' ' ASN . 0.1 OUTLIER -179.62 79.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.927 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 59.8 tp60 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.553 1.158 . . . . 0.0 110.303 179.965 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.827 HD13 ' N ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -100.07 81.87 2.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 0.0 109.352 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.528 ' HB ' ' CD1' ' A' ' 86' ' ' PHE . 3.9 m -89.82 169.37 11.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.373 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.463 HG22 ' H ' ' A' ' 5' ' ' ILE . 85.1 m -111.3 172.62 6.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.364 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.918 HD13 HD11 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -172.65 177.6 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.516 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 0.6 OUTLIER 162.38 -51.4 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.927 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 6' ' ' SER . 18.3 Cg_endo -74.94 -163.35 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.447 1.762 . . . . 0.0 110.939 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.4 ' O ' ' N ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -44.4 -28.9 0.61 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.547 1.154 . . . . 0.0 109.575 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.528 ' HB3' HD11 ' A' ' 5' ' ' ILE . 0.8 OUTLIER -52.51 -32.43 40.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 0.0 109.363 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.529 ' HB2' HG23 ' A' ' 5' ' ' ILE . . . -81.57 -24.22 36.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.271 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 8' ' ' HIS . 13.4 tm0? -80.77 0.55 34.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.452 1.095 . . . . 0.0 110.264 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -97.81 -35.29 10.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.331 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.918 HD11 HD13 ' A' ' 5' ' ' ILE . 0.3 OUTLIER -74.98 -43.75 52.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 72.9 mt -62.5 -39.25 83.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.38 -7.0 56.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.329 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 40.1 mtt180 -98.27 -14.16 20.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.59 1.181 . . . . 0.0 110.308 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 103.03 30.76 5.32 Favored Glycine 0 CA--C 1.532 1.124 0 O-C-N 124.411 1.07 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.56 179.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 0.774 . . . . 0.0 109.356 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.78 97.33 3.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.706 HD22 HG21 ' A' ' 34' ' ' ILE . 8.0 tt -84.81 128.05 34.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.795 HG13 ' HB3' ' A' ' 40' ' ' ALA . 0.7 OUTLIER -105.76 126.91 61.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.365 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.402 ' CG ' ' SG ' ' A' ' 63' ' ' CYS . 0.2 OUTLIER -92.73 97.13 10.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.102 . . . . 0.0 109.316 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.536 HG23 HG23 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -94.61 39.65 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.577 1.173 . . . . 0.0 109.331 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.29 -177.42 4.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 110.268 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -41.77 142.5 0.65 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 1.028 ' HB1' HD21 ' A' ' 39' ' ' LEU . . . -120.44 -78.84 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -83.5 -17.07 43.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.91 -38.01 75.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.319 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.541 ' CD2' ' HB2' ' A' ' 31' ' ' ARG . 0.4 OUTLIER -114.58 -40.8 3.52 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.437 1.086 . . . . 0.0 110.997 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.727 ' O ' HD12 ' A' ' 30' ' ' LEU . 0.2 OUTLIER 39.21 29.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.375 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.541 ' HB2' ' CD2' ' A' ' 29' ' ' TYR . 42.4 mtt180 -99.64 -81.83 0.45 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 110.19 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -78.01 165.62 23.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.558 1.161 . . . . 0.0 110.21 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.846 ' HB3' ' HB3' ' A' ' 103' ' ' ALA . 1.5 t-80 -136.79 -144.89 0.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.595 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.001 HG22 ' HB2' ' A' ' 37' ' ' ALA . 0.1 OUTLIER -166.96 154.87 8.89 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 109.248 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.475 ' HG3' ' CE2' ' A' ' 95' ' ' TRP . 18.1 Cg_endo -75.09 107.51 2.5 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.509 1.794 . . . . 0.0 110.941 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 66.95 74.24 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.257 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 1.001 ' HB2' HG22 ' A' ' 34' ' ' ILE . . . -119.9 -173.18 2.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.763 ' OD2' HD12 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -177.7 108.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 1.028 HD21 ' HB1' ' A' ' 26' ' ' ALA . 4.0 mp -41.26 127.44 2.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.795 ' HB3' HG13 ' A' ' 21' ' ' ILE . . . -175.09 77.49 0.31 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.419 1.074 . . . . 0.0 109.303 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 42' ' ' LEU . 18.0 Cg_endo -75.13 151.51 39.04 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.551 1.816 . . . . 0.0 111.032 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 46' ' ' GLU . 1.3 pp -38.71 -39.01 0.45 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.7 m -53.08 -54.3 37.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.026 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.419 ' N ' ' O ' ' A' ' 41' ' ' PRO . 98.8 t -72.22 -44.36 64.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.095 . . . . 0.0 109.242 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.46 ' CD1' ' O ' ' A' ' 40' ' ' ALA . 36.7 mt -60.06 -19.71 54.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 42' ' ' LEU . 2.9 mt-10 -92.62 -56.79 2.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 110.225 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -21.34 66.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.399 1.062 . . . . 0.0 110.274 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 49' ' ' GLY . 8.5 t -101.19 -48.61 4.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.599 1.187 . . . . 0.0 109.99 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.52 ' O ' ' C ' ' A' ' 50' ' ' LEU . . . 60.16 130.13 0.01 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.52 ' C ' ' O ' ' A' ' 49' ' ' GLY . 0.2 OUTLIER 31.24 82.52 0.21 Allowed Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.496 0.762 . . . . 0.0 109.334 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 135.03 18.73 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.474 1.776 . . . . 0.0 111.038 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.44 -18.15 55.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.17 -16.79 48.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.618 HD13 HD11 ' A' ' 21' ' ' ILE . 14.9 mt -136.23 42.06 2.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.575 1.172 . . . . 0.0 109.269 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.3 ttt-85 -98.38 149.67 22.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.24 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -168.78 -149.59 0.08 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 109.616 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.55 ' O ' ' HB1' ' A' ' 83' ' ' ALA . 0.2 OUTLIER -107.54 -50.84 3.0 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.617 HE21 ' HZ ' ' A' ' 86' ' ' PHE . 7.5 mt-30 -128.23 106.05 8.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.165 . . . . 0.0 110.248 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.839 HD12 ' N ' ' A' ' 60' ' ' ILE . 0.7 OUTLIER -100.83 173.46 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.839 ' N ' HD12 ' A' ' 59' ' ' ILE . 3.6 mm -118.19 146.03 23.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.669 ' HB3' HD23 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -136.73 99.74 4.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.997 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.608 ' CD2' ' O ' ' A' ' 88' ' ' LEU . 1.8 t-80 -178.75 -178.19 0.55 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.62 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.483 ' CB ' ' O ' ' A' ' 62' ' ' HIS . 0.8 OUTLIER 160.4 170.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.505 1.128 . . . . 0.0 108.301 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.529 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 36.2 tt0 65.2 -90.56 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.319 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.529 ' HB2' ' O ' ' A' ' 64' ' ' GLN . . . 173.87 52.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 138.7 162.0 8.99 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.504 1.128 . . . . 0.0 111.03 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.43 ' O ' ' CB ' ' A' ' 68' ' ' ARG . 4.9 tptp -170.0 -43.74 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 0.775 . . . . 0.0 109.272 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.43 ' CB ' ' O ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER 78.85 43.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.359 -179.917 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.467 ' CB ' HD22 ' A' ' 87' ' ' LEU . 11.4 p -64.06 -19.39 65.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.347 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 41.9 t -57.1 -17.67 11.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.014 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -62.4 -63.58 1.19 Allowed 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 63.0 m-80 -126.25 44.79 2.78 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.608 ' HA ' HD12 ' A' ' 76' ' ' LEU . . . -56.65 -20.22 20.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.594 1.184 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.65 -62.6 1.7 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.432 1.082 . . . . 0.0 109.257 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.64 -30.13 54.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.269 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.608 HD12 ' HA ' ' A' ' 73' ' ' ALA . 28.5 mt -71.61 -40.04 70.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.67 ' O ' ' HB2' ' A' ' 81' ' ' ALA . . . -78.9 0.94 25.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -110.13 -0.87 17.75 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -87.41 -44.94 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.399 1.062 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.823 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -109.27 38.07 2.41 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.582 1.176 . . . . 0.0 109.229 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.841 ' HB1' ' HA ' ' A' ' 82' ' ' PRO . . . -107.93 166.03 11.68 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.592 1.182 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.841 ' HA ' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -74.96 118.58 5.38 Favored 'Cis proline' 0 C--N 1.359 1.096 0 C-N-CA 121.0 -2.5 . . . . 0.0 110.986 -0.036 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.823 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -163.47 164.69 24.35 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.329 1.018 . . . . 0.0 109.266 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -102.75 76.8 1.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.341 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.741 HG21 ' HB3' ' A' ' 80' ' ' ALA . 18.0 pt -79.2 139.74 17.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.395 1.06 . . . . 0.0 109.319 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.617 ' HZ ' HE21 ' A' ' 58' ' ' GLN . 13.1 m-85 -112.74 152.07 29.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.413 1.07 . . . . 0.0 110.977 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.669 HD23 ' HB3' ' A' ' 61' ' ' PHE . 0.2 OUTLIER -118.35 147.16 43.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.445 1.09 . . . . 0.0 109.361 179.912 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.638 HD22 HG22 ' A' ' 5' ' ' ILE . 0.3 OUTLIER -85.53 144.04 28.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -66.92 -160.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.105 . . . . 0.0 110.348 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -83.92 80.83 9.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 109.325 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 134.14 100.69 0.69 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.564 ' O ' HD12 ' A' ' 92' ' ' ILE . 1.2 pp -74.53 -3.61 4.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.479 0.752 . . . . 0.0 109.34 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 97' ' ' LYS . 2.4 p30 -50.46 -22.65 2.0 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 93' ' ' ASP . . . -37.24 -35.83 0.19 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.555 1.159 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.575 ' CZ2' ' HB3' ' A' ' 100' ' ' LEU . 19.5 t-105 -68.73 -60.59 2.29 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.3 ttpp -60.67 -15.5 29.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 93' ' ' ASP . 35.3 tttt -61.67 -15.4 39.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.556 ' HB3' HD12 ' A' ' 100' ' ' LEU . . . -109.19 23.16 14.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 62.45 40.32 98.94 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.502 1.126 . . . . 0.0 110.955 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.575 ' HB3' ' CZ2' ' A' ' 95' ' ' TRP . 1.0 OUTLIER -140.0 100.55 7.19 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.49 0.759 . . . . 0.0 109.343 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.416 ' O ' ' NE1' ' A' ' 95' ' ' TRP . 18.3 Cg_endo -74.99 -177.05 3.2 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.522 1.801 . . . . 0.0 110.937 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 22.3 m -85.78 -169.81 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.846 ' HB3' ' HB3' ' A' ' 33' ' ' HIS . . . -87.39 101.78 13.9 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.695 HG12 ' H ' ' A' ' 105' ' ' ASN . 1.4 t -92.56 -166.21 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.695 ' H ' HG12 ' A' ' 104' ' ' VAL . 16.6 p-10 -70.35 118.35 13.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.269 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.1 mtpm? -78.06 -171.04 2.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 109.248 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 42.99 89.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.516 1.135 . . . . 0.0 109.964 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.26 -179.974 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.765 ' C ' HD12 ' A' ' 2' ' ' LEU . 0.2 OUTLIER -55.41 108.82 0.46 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 87' ' ' LEU . 7.7 m -138.53 171.84 13.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.437 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.414 ' H ' HG22 ' A' ' 3' ' ' THR . 62.4 m -113.3 123.64 50.61 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.553 1.158 . . . . 0.0 110.408 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.597 HG23 ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -123.49 144.72 32.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 109.271 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.407 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 11.7 m -67.12 139.76 95.41 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.964 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.492 ' HB3' HD21 ' A' ' 88' ' ' LEU . 18.6 Cg_endo -75.09 0.41 8.98 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.534 1.807 . . . . 0.0 111.041 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -89.57 -32.69 17.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 109.616 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -101.87 -25.8 13.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.597 ' HB2' HG23 ' A' ' 5' ' ' ILE . . . -64.58 -26.98 68.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.344 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.6 tm0? -75.17 -2.42 27.71 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.541 1.15 . . . . 0.0 110.253 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -100.11 -47.78 4.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 110.245 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.563 HD12 ' HB3' ' A' ' 18' ' ' ALA . 3.6 pp -64.42 -37.05 86.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.373 1.045 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.832 ' HA ' ' HB3' ' A' ' 18' ' ' ALA . 9.1 mt -63.06 -49.52 83.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.17 -9.34 52.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.255 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -92.01 -22.61 19.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 110.36 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 162.12 -40.77 0.38 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.571 1.169 . . . . 0.0 111.029 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.832 ' HB3' ' HA ' ' A' ' 14' ' ' ILE . . . -43.44 143.68 0.87 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 0.805 . . . . 0.0 109.364 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.65 160.3 20.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.2 tt -114.71 158.77 21.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.155 . . . . 0.0 109.241 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.719 HG13 ' HB3' ' A' ' 40' ' ' ALA . 0.8 OUTLIER -137.32 127.04 37.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.695 ' OD1' ' HB1' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -95.87 104.21 16.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 6.1 mt -90.77 41.11 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.132 . . . . 0.0 109.266 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -116.2 -173.57 2.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 110.281 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -42.47 158.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 0.0 109.303 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.81 ' HA ' HD11 ' A' ' 39' ' ' LEU . . . -109.8 -74.59 0.65 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -109.75 -8.33 14.94 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.418 1.074 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.01 -39.62 92.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.249 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.544 ' CD2' ' HB2' ' A' ' 31' ' ' ARG . 1.4 t80 -120.34 -45.27 2.44 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.517 1.135 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.817 HD23 ' O ' ' A' ' 30' ' ' LEU . 2.9 tt 31.4 44.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.544 ' HB2' ' CD2' ' A' ' 29' ' ' TYR . 3.9 mtt180 -95.26 -77.31 0.47 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 110.323 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.446 ' HB3' HG21 ' A' ' 102' ' ' VAL . 5.2 mp0 -65.24 168.97 6.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 110.221 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.428 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 5.3 t-160 -170.14 87.76 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.578 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.514 ' C ' ' H ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -44.28 156.73 0.32 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 109.217 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.566 ' HG3' ' CE2' ' A' ' 95' ' ' TRP . 17.9 Cg_endo -74.98 28.91 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.479 1.778 . . . . 0.0 110.943 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.514 ' H ' ' C ' ' A' ' 34' ' ' ILE . 1.4 mt-10 165.46 89.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 110.333 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.695 ' HB1' ' OD1' ' A' ' 22' ' ' ASP . . . -148.0 178.48 8.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.591 1.182 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.909 ' HB3' HD13 ' A' ' 54' ' ' LEU . 52.0 m-20 -159.32 104.26 1.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.245 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.81 HD11 ' HA ' ' A' ' 26' ' ' ALA . 4.1 tp -37.5 124.24 1.02 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.575 1.172 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.719 ' HB3' HG13 ' A' ' 21' ' ' ILE . . . -170.28 65.38 0.49 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.313 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.07 171.21 18.77 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.49 1.784 . . . . 0.0 110.997 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 46' ' ' GLU . 14.6 mt -46.9 -39.49 12.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.6 p -51.84 -56.27 14.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 109.898 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.606 HG13 ' HB2' ' A' ' 48' ' ' SER . 96.0 t -73.46 -39.23 54.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 O-C-N 124.404 1.065 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.7 mt -63.3 -17.75 62.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.38 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 42' ' ' LEU . 1.3 mm-40 -102.88 -60.11 1.6 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.552 1.157 . . . . 0.0 110.259 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.12 -41.35 94.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.374 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.606 ' HB2' HG13 ' A' ' 44' ' ' VAL . 0.3 OUTLIER -87.04 -53.93 4.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.98 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 50' ' ' LEU . . . 93.97 -171.17 31.14 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.519 1.137 . . . . 0.0 110.957 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.683 HD23 ' O ' ' A' ' 50' ' ' LEU . 6.4 tt -38.7 101.48 0.23 Allowed Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.49 0.759 . . . . 0.0 109.349 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 75.53 3.67 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.466 1.772 . . . . 0.0 110.992 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.78 -18.94 9.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.02 -28.82 69.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 109.271 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.909 HD13 ' HB3' ' A' ' 38' ' ' ASP . 0.4 OUTLIER -126.3 38.13 4.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.997 HH21 HD11 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -123.49 166.53 15.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 110.253 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -159.99 -161.63 0.91 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.628 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -52.74 -20.77 3.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 110.227 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -171.17 157.32 5.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 1.077 HD11 ' CD2' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -143.57 149.74 17.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.595 1.184 . . . . 0.0 109.261 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.401 HG22 ' HB2' ' A' ' 88' ' ' LEU . 0.9 OUTLIER -142.1 128.71 19.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.413 1.071 . . . . 0.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 1.077 ' CD2' HD11 ' A' ' 59' ' ' ILE . 0.8 OUTLIER -138.82 -171.34 3.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -173.22 151.19 2.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.626 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 21.3 p -49.39 172.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 108.266 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -54.54 -83.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.266 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -144.29 61.53 1.34 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -144.2 -138.86 3.41 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.421 1.076 . . . . 0.0 111.0 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.88 -166.57 2.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.422 0.719 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 66.34 78.84 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.362 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.462 ' O ' ' HB2' ' A' ' 73' ' ' ALA . 81.1 m -119.77 -39.58 2.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.59 1.181 . . . . 0.0 110.41 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 47.4 t -67.69 -14.19 62.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 110.056 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 25.6 t30 -48.65 -43.02 36.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.346 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -152.11 50.64 0.79 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.406 1.066 . . . . 0.0 109.258 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.634 ' HB3' HD22 ' A' ' 2' ' ' LEU . . . -84.3 -11.25 56.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -64.54 -52.94 55.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 109.362 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -50.7 -46.52 58.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.421 ' HA ' ' CG2' ' A' ' 79' ' ' ILE . 17.7 mt -67.62 -45.57 75.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 109.349 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.411 ' HB2' ' HB3' ' A' ' 2' ' ' LEU . . . -53.97 -20.76 6.69 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.462 1.101 . . . . 0.0 109.397 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -104.74 -30.55 9.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.21 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.435 ' N ' ' O ' ' A' ' 75' ' ' LYS . 0.3 OUTLIER -60.45 -16.07 11.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 109.361 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.938 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -128.43 38.03 4.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.83 ' HB1' ' HA ' ' A' ' 82' ' ' PRO . . . -99.2 165.49 14.75 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.83 ' HA ' ' HB1' ' A' ' 81' ' ' ALA . 18.5 Cg_endo -74.96 0.83 16.13 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 120.953 -2.519 . . . . 0.0 111.03 -0.069 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.938 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -36.99 145.65 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.564 1.165 . . . . 0.0 109.299 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -81.62 117.76 22.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.328 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.997 HD11 HH21 ' A' ' 55' ' ' ARG . 7.9 mm -109.55 164.73 5.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.608 ' CD1' ' O ' ' A' ' 85' ' ' ILE . 10.2 m-85 -161.67 177.24 10.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 111.008 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.559 HD11 HD13 ' A' ' 2' ' ' LEU . 26.2 mt -119.7 153.79 35.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.247 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.492 HD21 ' HB3' ' A' ' 7' ' ' PRO . 9.0 tt -118.65 107.56 13.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 88' ' ' LEU . 0.0 OUTLIER -38.96 111.83 0.2 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 0.0 110.403 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.426 ' HB3' ' CB ' ' A' ' 93' ' ' ASP . 39.1 m-20 64.27 139.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 109.356 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -81.08 -95.7 0.42 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.512 1.133 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.426 HD12 ' HA ' ' A' ' 92' ' ' ILE . 10.6 tp -50.8 -43.91 25.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.551 0.795 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.426 ' CB ' ' HB3' ' A' ' 90' ' ' ASP . 0.5 OUTLIER -55.68 -19.65 11.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.441 ' O ' ' CB ' ' A' ' 97' ' ' LYS . . . -61.99 -76.37 0.25 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.514 1.134 . . . . 0.0 111.025 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.603 ' CZ3' HD13 ' A' ' 100' ' ' LEU . 22.9 t-105 -60.67 -22.77 64.24 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.0 tttt -87.38 -0.06 56.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.441 ' CB ' ' O ' ' A' ' 94' ' ' GLY . 13.2 tptp -56.9 -19.72 19.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 1.089 ' HB3' ' CD1' ' A' ' 100' ' ' LEU . . . -125.65 28.61 6.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.271 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 56.75 40.2 88.54 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.534 1.146 . . . . 0.0 111.013 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 1.089 ' CD1' ' HB3' ' A' ' 98' ' ' ALA . 0.3 OUTLIER -106.95 115.03 60.91 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.474 0.749 . . . . 0.0 109.351 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 152.69 40.74 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.526 1.803 . . . . 0.0 110.954 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.446 HG21 ' HB3' ' A' ' 32' ' ' GLU . 20.8 m -80.06 176.92 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 33' ' ' HIS . . . -79.54 76.65 6.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.415 1.072 . . . . 0.0 109.277 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.775 HG13 ' N ' ' A' ' 105' ' ' ASN . 3.2 p -85.31 -145.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.775 ' N ' HG13 ' A' ' 104' ' ' VAL . 16.3 p30 -65.95 166.59 11.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 45.47 88.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.598 1.186 . . . . 0.0 109.267 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 7.7 t -166.91 134.44 2.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.426 1.079 . . . . 0.0 109.96 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? . . . . . 0 C--N 1.327 -0.398 0 O-C-N 124.467 1.105 . . . . 0.0 110.333 179.96 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.513 ' HA ' HD23 ' A' ' 2' ' ' LEU . 6.0 mt . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.575 ' HB ' ' CE2' ' A' ' 86' ' ' PHE . 1.7 m -129.0 166.27 19.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.394 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.454 HG23 ' N ' ' A' ' 5' ' ' ILE . 2.8 t -141.39 -170.06 3.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.555 1.159 . . . . 0.0 110.416 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.454 ' N ' HG23 ' A' ' 4' ' ' THR . 0.6 OUTLIER -153.55 -170.44 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.424 1.077 . . . . 0.0 109.336 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.5 p -107.31 147.41 35.18 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.013 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.84 60.73 5.38 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.468 1.772 . . . . 0.0 111.031 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -163.29 -43.99 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.571 1.17 . . . . 0.0 109.582 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -91.44 -29.0 17.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.23 -21.03 46.37 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.437 1.086 . . . . 0.0 109.328 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 20.5 tm0? -79.11 -2.6 41.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.281 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -94.94 -35.65 11.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.586 1.178 . . . . 0.0 110.184 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.72 ' N ' HD23 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -69.42 -49.66 53.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.426 1.079 . . . . 0.0 109.329 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.732 ' HA ' ' HB3' ' A' ' 18' ' ' ALA . 11.0 mt -59.95 -39.45 80.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.61 -3.92 46.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.1 mtp-105 -98.64 -20.87 16.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 110.274 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 130.83 42.41 0.2 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.603 1.189 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.732 ' HB3' ' HA ' ' A' ' 14' ' ' ILE . . . -111.67 131.27 55.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 0.785 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.23 134.89 35.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.254 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.682 ' HA ' HG22 ' A' ' 60' ' ' ILE . 6.1 tt -107.31 103.76 13.21 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.477 1.111 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.507 HG13 ' HB3' ' A' ' 40' ' ' ALA . 1.1 mp -86.05 115.53 27.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.236 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.459 ' OD1' ' N ' ' A' ' 22' ' ' ASP . 0.1 OUTLIER -91.17 106.49 18.55 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.744 HG22 HD11 ' A' ' 45' ' ' LEU . 5.0 pt -89.44 39.94 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.586 1.179 . . . . 0.0 109.253 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.643 ' NH1' ' CE1' ' A' ' 29' ' ' TYR . 3.1 ptp180 -116.88 -173.05 2.32 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.489 ' CB ' ' HB2' ' A' ' 28' ' ' GLU . 1.0 OUTLIER -59.6 174.26 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.407 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.477 ' HB2' HD21 ' A' ' 39' ' ' LEU . . . -120.66 -69.77 0.82 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.22 -39.97 74.79 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.489 ' HB2' ' CB ' ' A' ' 25' ' ' ASP . 3.9 mm-40 -59.27 -23.19 62.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 110.323 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.643 ' CE1' ' NH1' ' A' ' 24' ' ' ARG . 0.6 OUTLIER -118.64 0.82 11.59 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.502 1.126 . . . . 0.0 110.972 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 26' ' ' ALA . 2.4 tp -45.66 -25.99 0.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.6 1.188 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.423 ' N ' ' C ' ' A' ' 29' ' ' TYR . 2.8 mmp_? -54.15 -52.9 59.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.425 1.078 . . . . 0.0 110.301 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.729 ' HB2' HG21 ' A' ' 102' ' ' VAL . 1.1 pt-20 -116.84 152.54 34.22 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 0.0 110.34 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.552 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.2 OUTLIER -152.82 119.22 5.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.557 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.473 HG12 ' CD ' ' A' ' 35' ' ' PRO . 0.0 OUTLIER -45.94 163.42 0.22 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.239 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.557 ' HG3' ' CE2' ' A' ' 95' ' ' TRP . 18.5 Cg_endo -74.95 47.57 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.486 1.782 . . . . 0.0 111.011 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.445 ' CB ' ' O ' ' A' ' 35' ' ' PRO . 2.9 mt-10 164.49 -86.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.276 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.438 ' O ' ' CG ' ' A' ' 38' ' ' ASP . . . 50.21 179.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.419 1.075 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.82 ' HB3' HD13 ' A' ' 54' ' ' LEU . 53.7 m-20 -168.75 92.19 0.29 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.467 1.104 . . . . 0.0 109.245 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.477 HD21 ' HB2' ' A' ' 26' ' ' ALA . 0.3 OUTLIER -38.21 119.5 0.8 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.669 ' O ' HD11 ' A' ' 45' ' ' LEU . . . -171.7 66.05 0.41 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.43 ' O ' ' N ' ' A' ' 44' ' ' VAL . 18.3 Cg_endo -74.97 163.6 35.06 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.441 1.758 . . . . 0.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 46' ' ' GLU . 0.9 OUTLIER -41.19 -39.02 1.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.349 179.878 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.404 ' N ' ' HG ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -55.27 -48.2 74.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.019 -179.929 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.507 ' O ' ' CB ' ' A' ' 48' ' ' SER . 74.4 t -78.24 -39.36 24.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.744 HD11 HG22 ' A' ' 23' ' ' ILE . 9.5 mt -64.93 -17.45 64.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 42' ' ' LEU . 4.0 mt-10 -101.74 -59.05 1.77 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.458 1.099 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.57 -39.82 92.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.261 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.507 ' CB ' ' O ' ' A' ' 44' ' ' VAL . 0.3 OUTLIER -89.9 -54.58 3.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.99 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.34 -157.73 15.37 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.517 1.135 . . . . 0.0 111.032 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.78 HD12 ' O ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -46.13 141.05 4.8 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.508 0.769 . . . . 0.0 109.367 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 50' ' ' LEU . 18.5 Cg_endo -75.04 65.16 6.11 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.492 1.785 . . . . 0.0 110.991 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.48 -52.03 63.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.2 ptmt -54.57 -20.17 7.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.264 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.82 HD13 ' HB3' ' A' ' 38' ' ' ASP . 0.3 OUTLIER -130.07 39.3 3.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.364 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.404 ' N ' ' O ' ' A' ' 51' ' ' PRO . 4.2 ttt-85 -114.19 137.63 51.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 110.319 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 25.9 t-80 -139.47 -95.55 0.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.567 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -119.91 -52.61 2.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.293 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -132.1 119.07 20.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 110.329 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.468 HD11 ' HB1' ' A' ' 80' ' ' ALA . 1.1 pt -111.39 146.73 15.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.591 1.182 . . . . 0.0 109.241 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.682 HG22 ' HA ' ' A' ' 20' ' ' LEU . 5.9 tt -102.7 163.73 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.569 ' HZ ' HD22 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -146.04 97.14 2.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 111.0 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.504 ' O ' ' CB ' ' A' ' 63' ' ' CYS . 8.0 t60 -176.61 169.71 2.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.641 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 62' ' ' HIS . 0.8 OUTLIER 159.85 56.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 108.32 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -156.16 176.35 12.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.272 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -116.73 45.75 1.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 109.263 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 82.95 100.16 0.51 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.518 1.136 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -134.15 -78.12 0.46 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.496 0.762 . . . . 0.0 109.337 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.73 73.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.151 . . . . 0.0 110.363 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.7 m -89.55 -47.38 8.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.434 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.7 t -47.4 -25.4 1.03 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.946 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -45.16 -61.62 1.57 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.567 ' O ' HD12 ' A' ' 76' ' ' LEU . 16.0 m-20 -128.15 48.93 2.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.09 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -91.88 -5.85 52.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.535 1.147 . . . . 0.0 109.238 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 77' ' ' ALA . 0.0 OUTLIER -83.99 -77.93 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.422 1.076 . . . . 0.0 109.377 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.1 -26.79 0.81 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.453 1.096 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.567 HD12 ' O ' ' A' ' 72' ' ' ASN . 9.8 mt -66.98 -44.43 80.43 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 74' ' ' ASP . . . -62.38 -25.45 67.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -89.05 -13.5 38.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.345 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 12.2 mt -82.53 -30.32 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.78 ' O ' HD12 ' A' ' 50' ' ' LEU . . . -97.45 18.08 16.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.909 ' HB1' ' HA ' ' A' ' 82' ' ' PRO . . . -100.95 167.35 10.91 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.909 ' HA ' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -75.04 119.74 6.18 Favored 'Cis proline' 0 C--N 1.359 1.124 0 C-N-CA 120.99 -2.504 . . . . 0.0 111.015 0.033 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.645 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -174.07 159.51 3.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.514 ' C ' HD13 ' A' ' 85' ' ' ILE . 1.3 mm-40 -83.3 103.97 13.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 110.321 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.539 ' N ' HD13 ' A' ' 85' ' ' ILE . 1.6 mm -97.41 148.31 5.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 109.356 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.575 ' CE2' ' HB ' ' A' ' 3' ' ' THR . 29.8 m-85 -145.18 162.16 37.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.135 . . . . 0.0 110.946 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.461 HD11 ' CD2' ' A' ' 2' ' ' LEU . 20.2 mt -113.97 158.48 21.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.481 ' HB3' ' CG ' ' A' ' 62' ' ' HIS . 0.4 OUTLIER -103.53 120.49 40.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 91' ' ' GLY . 0.6 OUTLIER -37.67 129.99 1.07 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 110.303 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 89' ' ' GLU . 4.0 m-20 -38.95 96.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 89' ' ' GLU . . . 157.53 106.27 0.23 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.952 ' O ' HD13 ' A' ' 92' ' ' ILE . 0.0 OUTLIER -62.6 -14.09 12.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.462 0.742 . . . . 0.0 109.335 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.51 ' O ' ' N ' ' A' ' 95' ' ' TRP . 4.0 m-20 -39.03 -93.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.252 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 42.86 -91.07 0.01 OUTLIER Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.865 ' O ' HD12 ' A' ' 100' ' ' LEU . 6.8 t-105 -61.85 -33.52 74.33 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 16.8 tttt -86.29 -8.89 57.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.337 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.9 tptp -58.82 -22.64 59.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 1.067 ' HB3' HD11 ' A' ' 100' ' ' LEU . . . -108.01 23.56 14.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.266 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 55.95 49.54 66.31 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.607 1.192 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 1.067 HD11 ' HB3' ' A' ' 98' ' ' ALA . 0.3 OUTLIER -115.51 120.51 36.12 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.52 0.776 . . . . 0.0 109.311 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 149.96 37.36 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.385 1.729 . . . . 0.0 111.001 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.729 HG21 ' HB2' ' A' ' 32' ' ' GLU . 33.7 m -79.49 -177.0 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 109.255 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.552 ' O ' ' CD2' ' A' ' 33' ' ' HIS . . . -80.04 111.48 16.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.467 HG12 ' H ' ' A' ' 105' ' ' ASN . 1.7 t -99.33 171.24 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 109.267 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.467 ' H ' HG12 ' A' ' 104' ' ' VAL . 1.8 p-10 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.376 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.526 HD23 ' N ' ' A' ' 2' ' ' LEU . 1.2 mt . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.5 m -122.09 165.58 15.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.572 1.17 . . . . 0.0 110.432 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.7 t -169.34 136.88 1.8 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.408 1.067 . . . . 0.0 110.487 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.759 HG13 HD11 ' A' ' 88' ' ' LEU . 27.6 pt -140.39 -171.92 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 O-C-N 124.455 1.097 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 m -104.61 158.66 31.52 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 110.006 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 58.46 4.92 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.477 1.778 . . . . 0.0 110.956 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -129.76 -45.18 1.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 109.593 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.26 -20.83 13.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.912 ' O ' HD12 ' A' ' 14' ' ' ILE . . . -72.57 -28.07 62.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.7 tm0? -73.41 -2.82 23.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.341 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -96.27 -49.98 4.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.234 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.536 HD21 ' HA ' ' A' ' 10' ' ' ALA . 1.0 OUTLIER -64.3 -37.57 87.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.423 1.077 . . . . 0.0 109.229 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.912 HD12 ' O ' ' A' ' 10' ' ' ALA . 5.6 mt -62.65 -47.31 93.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.88 -9.39 57.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.412 1.07 . . . . 0.0 109.252 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -91.51 -22.69 20.25 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 0.0 110.384 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 161.88 -40.03 0.39 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.875 ' HB3' ' HA ' ' A' ' 14' ' ' ILE . . . -42.65 117.09 0.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 0.776 . . . . 0.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.571 ' HD3' HD23 ' A' ' 54' ' ' LEU . 0.1 OUTLIER -81.62 157.68 24.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 109.304 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.885 HD12 HG21 ' A' ' 60' ' ' ILE . 0.3 OUTLIER -113.76 126.04 54.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.438 HG23 ' HB3' ' A' ' 40' ' ' ALA . 25.1 mm -128.39 143.23 41.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -138.55 142.84 39.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.589 1.181 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.584 HG22 HD12 ' A' ' 45' ' ' LEU . 42.4 pt -96.24 41.82 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.476 ' CZ ' ' OE1' ' A' ' 28' ' ' GLU . 3.7 ptm180 -84.03 177.34 8.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -87.11 176.46 7.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.347 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 29' ' ' TYR . . . -92.86 -49.08 6.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.464 1.102 . . . . 0.0 109.35 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -50.28 -27.82 6.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.421 1.076 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.476 ' OE1' ' CZ ' ' A' ' 24' ' ' ARG . 0.6 OUTLIER -76.34 -29.89 57.43 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.562 ' O ' ' CD1' ' A' ' 29' ' ' TYR . 3.9 t80 -86.5 -4.04 59.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.8 tp -65.48 -33.19 75.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.44 -76.67 0.61 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.448 1.093 . . . . 0.0 110.278 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.82 173.23 12.8 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 110.273 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.865 ' HB3' ' HB3' ' A' ' 103' ' ' ALA . 0.7 OUTLIER -143.74 -139.29 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 109.575 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.562 ' CG2' ' HB3' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -157.95 163.72 23.7 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.35 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.599 ' HG3' ' CD1' ' A' ' 95' ' ' TRP . 18.2 Cg_endo -74.98 80.96 2.31 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.527 1.804 . . . . 0.0 110.931 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 65.49 105.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.562 ' HB3' ' CG2' ' A' ' 34' ' ' ILE . . . -169.56 -173.29 1.62 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -154.43 121.57 5.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.31 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.8 135.51 51.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 109.318 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.584 ' O ' HG22 ' A' ' 23' ' ' ILE . . . -171.3 87.09 0.47 Allowed Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.467 1.104 . . . . 0.0 109.309 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.435 ' HA ' ' CB ' ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.03 152.0 40.09 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.483 1.781 . . . . 0.0 111.047 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 46' ' ' GLU . 0.6 OUTLIER -38.25 -38.3 0.34 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.596 1.185 . . . . 0.0 109.296 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.77 -62.1 1.87 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.627 1.204 . . . . 0.0 109.925 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 48' ' ' SER . 44.6 t -70.33 -37.33 70.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.584 HD12 HG22 ' A' ' 23' ' ' ILE . 13.5 mt -64.6 -17.97 64.48 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.424 1.078 . . . . 0.0 109.264 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 42' ' ' LEU . 0.9 OUTLIER -96.53 -45.45 6.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 110.345 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.27 -23.42 57.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.581 1.176 . . . . 0.0 110.341 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 44' ' ' VAL . 2.2 t -102.51 -56.88 2.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.007 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.422 ' O ' ' N ' ' A' ' 51' ' ' PRO . . . 83.44 161.94 32.29 Favored Glycine 0 CA--C 1.528 0.869 0 O-C-N 124.511 1.132 . . . . 0.0 111.08 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.437 HD22 ' HA ' ' A' ' 50' ' ' LEU . 1.0 OUTLIER -38.8 99.2 0.19 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.446 0.733 . . . . 0.0 109.31 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.422 ' N ' ' O ' ' A' ' 49' ' ' GLY . 18.5 Cg_endo -74.91 152.63 41.46 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.428 1.751 . . . . 0.0 111.049 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.69 -39.32 73.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.44 -23.85 17.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.346 1.029 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.571 HD23 ' HD3' ' A' ' 19' ' ' LYS . 2.3 mt -130.52 39.46 3.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 64.7 ttt180 -107.9 134.94 50.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.254 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -148.95 -164.24 1.98 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.458 1.099 . . . . 0.0 109.575 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -86.17 -32.92 20.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 110.293 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -142.51 113.16 7.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.412 1.07 . . . . 0.0 110.285 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.712 HD11 HD12 ' A' ' 85' ' ' ILE . 1.8 pp -111.76 152.18 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.885 HG21 HD12 ' A' ' 20' ' ' LEU . 19.8 tt -110.87 163.01 7.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.407 ' N ' ' O ' ' A' ' 86' ' ' PHE . 1.1 m-85 -135.82 152.93 51.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.575 ' CE1' ' HB2' ' A' ' 88' ' ' LEU . 24.0 m-70 -147.57 107.24 3.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.607 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -49.35 -71.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 108.282 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -162.42 -50.02 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 110.317 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -154.2 57.5 0.71 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.539 1.15 . . . . 0.0 109.351 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 53.87 174.19 0.07 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.489 1.118 . . . . 0.0 110.974 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? 66.78 157.63 0.12 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.478 0.752 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 58.84 35.35 24.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.428 ' C ' ' N ' ' A' ' 71' ' ' ASN . 69.8 p -101.14 -69.27 0.78 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 110.414 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.408 ' N ' ' OG1' ' A' ' 69' ' ' THR . 1.9 t -42.58 -27.77 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.049 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.428 ' N ' ' C ' ' A' ' 69' ' ' THR . 3.3 t-20 -45.77 -49.63 14.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.547 1.154 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -141.24 50.79 1.6 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.462 ' O ' ' HB2' ' A' ' 77' ' ' ALA . . . -81.54 -21.44 38.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.24 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.24 -57.34 3.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.91 -50.61 14.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.329 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 70.3 mt -65.65 -42.45 91.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.583 1.177 . . . . 0.0 109.278 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.462 ' HB2' ' O ' ' A' ' 73' ' ' ALA . . . -65.41 -11.91 47.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.538 1.148 . . . . 0.0 109.274 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -99.64 -15.58 18.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 2.0 mt -79.31 -14.19 13.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.43 1.081 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.84 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -136.87 45.21 2.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.412 1.07 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.804 ' HB1' ' HA ' ' A' ' 82' ' ' PRO . . . -103.89 165.02 14.18 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.453 1.095 . . . . 0.0 109.352 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.804 ' HA ' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -75.06 1.12 16.26 Favored 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 120.956 -2.518 . . . . 0.0 110.989 0.035 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.84 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -37.36 147.98 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.431 1.082 . . . . 0.0 109.264 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.808 ' C ' HD13 ' A' ' 85' ' ' ILE . 10.2 mt-10 -75.21 120.7 21.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.411 1.07 . . . . 0.0 110.254 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.808 HD13 ' C ' ' A' ' 84' ' ' GLU . 2.7 mm -114.12 152.24 15.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.606 1.191 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.602 ' CE1' ' O ' ' A' ' 59' ' ' ILE . 30.7 p90 -175.28 156.88 2.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.57 1.169 . . . . 0.0 111.018 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.687 ' N ' HD13 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -130.52 158.29 40.34 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.759 HD11 HG13 ' A' ' 5' ' ' ILE . 1.0 OUTLIER -98.73 117.15 32.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.568 1.167 . . . . 0.0 109.239 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -42.7 -70.21 0.11 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.472 1.107 . . . . 0.0 110.262 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -61.64 -60.92 2.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.243 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 65.3 -113.01 5.46 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.456 1.098 . . . . 0.0 111.018 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 11.5 mm -50.53 -50.44 21.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.489 0.758 . . . . 0.0 109.34 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.25 -37.97 70.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.533 1.146 . . . . 0.0 109.243 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -73.55 -48.44 17.93 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.465 1.103 . . . . 0.0 110.969 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.632 ' CD1' ' O ' ' A' ' 100' ' ' LEU . 57.2 t-105 -50.93 -44.09 60.19 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.2 tttm -75.72 -26.8 57.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.313 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 27.2 tttt -54.51 -20.02 6.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.847 ' HB3' HD12 ' A' ' 100' ' ' LEU . . . -109.99 24.14 13.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 53.38 43.16 65.61 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.46 1.1 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.847 HD12 ' HB3' ' A' ' 98' ' ' ALA . 4.1 mt -122.06 103.37 39.56 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.533 0.784 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 179.63 5.91 Favored 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.422 1.748 . . . . 0.0 110.978 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 20.0 m -88.94 -166.33 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.62 1.2 . . . . 0.0 109.298 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.865 ' HB3' ' HB3' ' A' ' 33' ' ' HIS . . . -91.89 97.21 10.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.52 HG12 ' H ' ' A' ' 105' ' ' ASN . 2.0 t -97.87 173.42 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.344 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.52 ' H ' HG12 ' A' ' 104' ' ' VAL . 63.5 t30 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.372 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.449 HD22 ' CG ' ' A' ' 87' ' ' LEU . 5.7 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.8 m -103.06 165.94 10.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.419 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.9 t -137.38 134.04 35.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 110.42 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.523 ' HB ' ' HB2' ' A' ' 10' ' ' ALA . 1.9 pp -148.2 -174.36 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.085 . . . . 0.0 109.279 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.494 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 0.6 OUTLIER 163.68 -52.34 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.466 1.104 . . . . 0.0 110.037 -179.925 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 6' ' ' SER . 18.1 Cg_endo -75.06 -162.22 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.432 1.754 . . . . 0.0 111.012 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -44.13 -30.81 0.82 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.465 1.103 . . . . 0.0 109.607 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -53.76 -39.64 65.52 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.422 1.076 . . . . 0.0 109.271 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.523 ' HB2' ' HB ' ' A' ' 5' ' ' ILE . . . -74.57 -26.72 60.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.423 1.077 . . . . 0.0 109.303 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -81.0 1.11 32.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.32 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -98.11 -51.28 4.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.188 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.671 ' CD1' HD11 ' A' ' 60' ' ' ILE . 3.3 pp -62.55 -32.86 73.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.105 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 69.4 mt -67.38 -47.66 80.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.61 -7.79 49.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.574 1.171 . . . . 0.0 109.285 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -90.32 -22.01 21.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 110.272 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.596 ' O ' ' CD2' ' A' ' 56' ' ' HIS . . . 131.26 -4.27 5.57 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.529 1.143 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.465 ' CB ' ' O ' ' A' ' 13' ' ' LEU . . . -56.9 155.56 7.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.576 0.809 . . . . 0.0 109.319 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.461 ' HB3' HG22 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -123.03 152.03 41.35 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 1.033 HD23 ' HB2' ' A' ' 37' ' ' ALA . 0.5 OUTLIER -126.02 149.03 49.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.513 HG23 HG23 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -122.83 152.51 27.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.446 ' HA ' ' CD2' ' A' ' 62' ' ' HIS . 2.5 t70 -115.39 114.51 25.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.885 HG22 ' O ' ' A' ' 40' ' ' ALA . 1.5 pt -120.72 53.27 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.366 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.648 ' CZ ' ' CG ' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -126.07 179.55 5.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.305 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.441 ' O ' ' NE ' ' A' ' 24' ' ' ARG . 1.7 m-20 -40.83 146.23 0.16 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.542 1.151 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -115.87 -36.36 4.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.323 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -79.17 -30.71 43.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.413 ' HB2' ' CB ' ' A' ' 25' ' ' ASP . 1.3 mm-40 -83.45 -22.4 32.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.083 . . . . 0.0 110.294 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.648 ' CG ' ' CZ ' ' A' ' 24' ' ' ARG . 0.3 OUTLIER -110.88 -0.62 16.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 111.026 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 29' ' ' TYR . 0.9 OUTLIER -40.12 -32.65 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.413 ' N ' ' C ' ' A' ' 29' ' ' TYR . 5.0 mtp180 -79.1 -63.16 1.48 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 110.313 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.557 ' HB2' ' CD1' ' A' ' 29' ' ' TYR . 0.9 OUTLIER -61.54 165.74 4.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.277 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.862 ' HB3' ' HB3' ' A' ' 103' ' ' ALA . 3.2 t-160 -135.31 -140.33 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.532 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 1.046 HG21 ' HB3' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -155.02 162.35 27.42 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.088 . . . . 0.0 109.278 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.59 ' HG3' ' CD1' ' A' ' 95' ' ' TRP . 18.2 Cg_endo -75.07 -47.01 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.439 1.757 . . . . 0.0 111.026 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.493 ' O ' ' HB2' ' A' ' 37' ' ' ALA . 1.5 tt0 -152.19 92.19 1.68 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 110.275 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 1.046 ' HB3' HG21 ' A' ' 34' ' ' ILE . . . 176.02 -176.72 0.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.366 1.041 . . . . 0.0 109.366 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.457 ' CB ' HD11 ' A' ' 54' ' ' LEU . 0.1 OUTLIER -159.17 130.25 6.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 179.917 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.469 ' CD1' ' HD3' ' A' ' 41' ' ' PRO . 12.3 tp -40.02 145.14 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.885 ' O ' HG22 ' A' ' 23' ' ' ILE . . . 180.0 73.46 0.17 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 109.224 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.469 ' HD3' ' CD1' ' A' ' 39' ' ' LEU . 18.6 Cg_endo -75.04 160.9 39.48 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.516 1.798 . . . . 0.0 111.028 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.501 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -39.05 -34.76 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.573 1.17 . . . . 0.0 109.327 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.408 ' N ' ' HG ' ' A' ' 42' ' ' LEU . 38.8 p -57.14 -58.14 9.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 110.043 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 29.1 t -73.79 -32.66 35.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.113 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.415 ' HA ' HD23 ' A' ' 45' ' ' LEU . 15.8 mt -72.03 -14.39 61.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.501 ' CG ' ' O ' ' A' ' 42' ' ' LEU . 2.8 mm-40 -95.69 -45.19 7.12 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.51 1.131 . . . . 0.0 110.271 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -81.43 -28.03 34.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.209 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.68 -64.39 1.29 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.548 1.155 . . . . 0.0 110.04 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 51' ' ' PRO . . . 85.64 -170.02 43.63 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.456 1.097 . . . . 0.0 110.996 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 49' ' ' GLY . 13.9 tp -37.9 98.71 0.17 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.473 0.749 . . . . 0.0 109.26 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.441 ' N ' ' O ' ' A' ' 49' ' ' GLY . 18.3 Cg_endo -75.1 143.01 28.25 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.51 1.795 . . . . 0.0 110.95 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.38 -35.96 81.65 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.81 -19.88 60.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 0.0 109.253 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.457 HD11 ' CB ' ' A' ' 38' ' ' ASP . 1.6 mt -135.28 39.82 2.88 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.8 ttt85 -103.99 133.49 48.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.324 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 17' ' ' GLY . 3.0 t60 -142.87 -147.91 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.598 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -109.47 -16.71 13.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.276 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.402 ' HA ' ' O ' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -160.3 109.08 1.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.205 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.619 ' CG1' HD12 ' A' ' 85' ' ' ILE . 1.0 OUTLIER -107.33 -175.17 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.671 HD11 ' CD1' ' A' ' 13' ' ' LEU . 7.7 mt -140.68 173.13 10.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 109.228 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.605 ' H ' HG22 ' A' ' 60' ' ' ILE . 1.5 m-85 -136.69 134.14 36.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 111.055 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.446 ' CD2' ' HA ' ' A' ' 22' ' ' ASP . 0.0 OUTLIER -135.12 154.37 51.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.607 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -106.26 -169.61 1.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 108.256 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -66.57 -22.37 66.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 110.309 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -168.27 51.57 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 46.31 -163.5 0.13 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.465 1.103 . . . . 0.0 111.017 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.46 151.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 0.765 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 60.37 60.25 2.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.097 . . . . 0.0 110.312 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 92.0 m -119.14 -53.06 2.27 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.543 1.152 . . . . 0.0 110.44 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 28.0 t -55.16 -25.14 30.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.984 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -47.7 -50.13 25.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -144.04 54.25 1.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.243 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -83.63 -17.8 40.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.198 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.27 -55.1 5.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.601 1.188 . . . . 0.0 109.338 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.23 -42.12 39.47 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.429 ' HB3' ' CE2' ' A' ' 61' ' ' PHE . 83.1 mt -64.54 -43.58 93.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.118 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.59 -19.56 65.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.244 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -92.8 -9.5 40.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 109.364 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.5 mt -88.17 -29.6 5.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 109.293 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.8 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -115.34 38.48 3.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.142 . . . . 0.0 109.265 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.75 ' HB1' ' HA ' ' A' ' 82' ' ' PRO . . . -98.03 163.31 19.64 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.255 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.75 ' HA ' ' HB1' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -74.97 -0.94 17.38 Favored 'Cis proline' 0 C--N 1.361 1.185 0 C-N-CA 121.023 -2.491 . . . . 0.0 111.08 0.012 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.8 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -41.72 140.86 0.9 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.352 1.032 . . . . 0.0 109.276 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.402 ' O ' ' HA ' ' A' ' 58' ' ' GLN . 1.5 mt-10 -76.6 127.31 32.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.364 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.619 HD12 ' CG1' ' A' ' 59' ' ' ILE . 7.4 mm -113.7 154.42 15.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.589 1.18 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -134.58 -179.11 5.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 111.084 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.449 ' CG ' HD22 ' A' ' 2' ' ' LEU . 13.3 mt -112.99 151.25 30.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.477 HD22 ' CD1' ' A' ' 20' ' ' LEU . 51.9 tp -131.97 73.03 1.51 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -43.32 100.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 110.27 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 66.62 87.03 0.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.337 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 94' ' ' GLY . . . -73.53 -70.39 1.24 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.521 1.138 . . . . 0.0 111.073 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.6 tp -47.03 -38.8 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.462 0.742 . . . . 0.0 109.342 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.7 -31.11 46.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 91' ' ' GLY . . . -72.62 -30.47 64.1 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.501 1.126 . . . . 0.0 110.977 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.647 ' CZ3' HD13 ' A' ' 100' ' ' LEU . 32.1 t-105 -79.86 -39.08 31.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.04 0.35 45.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.259 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.98 -17.58 61.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.481 ' HB3' ' CD1' ' A' ' 100' ' ' LEU . . . -115.37 22.91 12.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 60.7 49.92 73.34 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.572 1.17 . . . . 0.0 111.022 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.647 HD13 ' CZ3' ' A' ' 95' ' ' TRP . 0.5 OUTLIER -133.48 99.25 14.51 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.506 0.768 . . . . 0.0 109.324 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 171.96 17.27 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.452 1.764 . . . . 0.0 111.056 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.461 HG12 ' HD3' ' A' ' 35' ' ' PRO . 35.2 m -84.03 -174.0 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.862 ' HB3' ' HB3' ' A' ' 33' ' ' HIS . . . -82.22 101.51 10.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.254 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.658 HG12 ' H ' ' A' ' 105' ' ' ASN . 2.0 t -96.65 179.69 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.658 ' H ' HG12 ' A' ' 104' ' ' VAL . 3.5 t-20 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.243 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.537 HD23 ' N ' ' A' ' 2' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.552 ' HB ' ' CE2' ' A' ' 86' ' ' PHE . 1.8 m -111.27 166.22 11.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.415 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.466 HG23 ' HA ' ' A' ' 89' ' ' GLU . 22.6 m -148.87 137.07 20.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.583 1.177 . . . . 0.0 110.397 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.603 HD11 HD11 ' A' ' 60' ' ' ILE . 1.3 pp -148.16 172.28 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.093 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.1 m -76.46 152.39 83.49 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.608 1.192 . . . . 0.0 110.014 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.749 ' HA ' ' HB3' ' A' ' 10' ' ' ALA . 18.7 Cg_endo -74.92 -19.87 17.63 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.517 1.799 . . . . 0.0 111.079 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.24 -30.63 71.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.588 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -103.24 -21.25 13.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.898 ' O ' HD12 ' A' ' 14' ' ' ILE . . . -69.11 -28.32 66.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.623 1.202 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.2 tm0? -76.09 -0.24 21.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.58 1.175 . . . . 0.0 110.261 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -98.57 -49.4 4.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.615 1.197 . . . . 0.0 110.242 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.605 HD21 ' HA ' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -64.4 -40.79 96.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.389 1.056 . . . . 0.0 109.332 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.898 HD12 ' O ' ' A' ' 10' ' ' ALA . 9.3 mt -61.59 -44.94 99.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.419 1.074 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.2 -9.34 58.31 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.577 1.173 . . . . 0.0 109.235 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -91.25 -22.65 20.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.245 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.425 ' C ' ' CE1' ' A' ' 56' ' ' HIS . . . 156.51 -32.73 0.58 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.537 1.148 . . . . 0.0 111.027 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.802 ' HB3' ' HA ' ' A' ' 14' ' ' ILE . . . -46.19 121.59 3.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 0.752 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.91 160.84 21.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.277 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.629 HD23 ' HB2' ' A' ' 37' ' ' ALA . 0.5 OUTLIER -117.17 152.82 33.96 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.578 HG22 ' CB ' ' A' ' 61' ' ' PHE . 0.8 OUTLIER -135.39 156.48 38.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.429 ' OD2' ' NH1' ' A' ' 24' ' ' ARG . 0.2 OUTLIER -119.14 121.72 40.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 109.348 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.543 HD11 ' HA ' ' A' ' 63' ' ' CYS . 7.6 pt -110.73 54.48 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.429 ' NH1' ' OD2' ' A' ' 22' ' ' ASP . 0.0 OUTLIER -138.33 -179.08 5.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.342 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.22 -175.62 0.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 30' ' ' LEU . . . -111.02 -35.62 5.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.081 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -47.99 -45.8 31.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.407 ' CD ' ' CD ' ' A' ' 24' ' ' ARG . 13.7 pt-20 -66.8 -29.08 68.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.446 1.092 . . . . 0.0 110.279 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.422 ' HB2' ' NH2' ' A' ' 24' ' ' ARG . 4.3 t80 -82.54 -23.22 34.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 111.051 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.737 HD13 ' C ' ' A' ' 30' ' ' LEU . 1.3 tm? -52.76 -39.23 62.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -94.44 -71.24 0.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.326 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -81.37 167.23 19.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 110.28 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.885 ' HB3' ' HB3' ' A' ' 103' ' ' ALA . 5.3 t-160 -132.24 -143.66 0.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.579 1.174 . . . . 0.0 109.595 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.784 ' CG2' ' HB3' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -158.41 163.86 23.05 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.586 ' HG3' ' CD1' ' A' ' 95' ' ' TRP . 18.1 Cg_endo -75.08 85.38 1.54 Allowed 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.619 1.852 . . . . 0.0 110.882 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 64.66 99.87 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.621 1.201 . . . . 0.0 110.268 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.784 ' HB3' ' CG2' ' A' ' 34' ' ' ILE . . . -175.42 -172.54 0.57 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.577 1.173 . . . . 0.0 109.257 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.51 129.87 3.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.79 135.3 19.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -174.63 74.5 0.32 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 109.359 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.1 163.1 35.78 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.431 1.753 . . . . 0.0 110.923 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 46' ' ' GLU . 4.0 pp -40.59 -38.36 0.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.0 m -52.79 -61.66 2.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.989 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.418 ' O ' ' N ' ' A' ' 48' ' ' SER . 50.8 t -71.19 -35.14 57.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.2 mt -65.98 -17.71 64.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.207 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.746 ' HG2' HD11 ' A' ' 79' ' ' ILE . 3.8 mt-10 -104.22 -46.53 4.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.13 -35.1 69.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 110.282 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 44' ' ' VAL . 3.7 t -98.32 -59.37 1.76 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 109.969 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 94.49 171.72 37.92 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.401 1.063 . . . . 0.0 111.048 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.472 HD23 ' CB ' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -49.58 105.9 0.56 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.493 0.76 . . . . 0.0 109.288 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.43 ' HD2' HD13 ' A' ' 50' ' ' LEU . 18.1 Cg_endo -74.89 179.95 5.55 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.493 1.786 . . . . 0.0 111.021 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -102.3 -9.05 20.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -86.55 -15.28 40.44 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.601 1.188 . . . . 0.0 109.323 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.8 mt -135.94 41.61 2.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.5 ttt85 -100.05 154.48 18.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.266 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.425 ' CE1' ' C ' ' A' ' 17' ' ' GLY . 1.6 t-80 -173.03 -154.22 0.07 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.137 . . . . 0.0 109.633 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -95.07 -52.69 4.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.371 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -135.54 110.06 8.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.316 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.592 HD11 ' CD1' ' A' ' 85' ' ' ILE . 1.8 pt -93.1 139.77 17.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.856 HG21 HD11 ' A' ' 14' ' ' ILE . 8.0 tt -127.44 128.08 69.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.578 ' CB ' HG22 ' A' ' 21' ' ' ILE . 29.3 p90 -142.17 -169.53 2.96 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.547 1.155 . . . . 0.0 111.001 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.567 ' CE1' ' HB3' ' A' ' 88' ' ' LEU . 0.0 OUTLIER -146.33 164.49 32.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.607 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.543 ' HA ' HD11 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -75.51 -68.7 0.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 108.224 -179.886 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.592 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 1.7 tt0 -167.08 -68.41 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.462 1.101 . . . . 0.0 110.288 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.592 ' HB2' ' O ' ' A' ' 64' ' ' GLN . . . 169.64 82.57 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 177.77 176.24 45.62 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 43.5 tttm -76.25 71.82 2.98 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.466 0.745 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.53 80.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 110.323 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.537 HG21 ' HA ' ' A' ' 90' ' ' ASP . 40.6 p -119.01 -5.6 10.53 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.393 1.058 . . . . 0.0 110.417 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.413 ' C ' ' N ' ' A' ' 72' ' ' ASN . 0.6 OUTLIER -67.43 -52.29 41.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.572 1.17 . . . . 0.0 110.039 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 45.65 26.17 0.32 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.39 1.056 . . . . 0.0 109.28 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.413 ' N ' ' C ' ' A' ' 70' ' ' SER . 3.5 m-80 65.28 63.12 0.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.366 1.041 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -47.51 -33.21 6.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.193 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -49.11 -49.51 41.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 79' ' ' ILE . 0.4 OUTLIER -68.82 -48.46 63.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.546 1.154 . . . . 0.0 109.394 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 80' ' ' ALA . 97.0 mt -51.96 -42.48 62.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -53.81 -52.13 61.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.11 -29.48 65.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.234 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.746 HD11 ' HG2' ' A' ' 46' ' ' GLU . 0.1 OUTLIER -68.77 -36.02 72.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.919 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.941 ' CB ' HD11 ' A' ' 85' ' ' ILE . . . -110.73 40.28 2.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.34 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.753 ' HB1' ' HA ' ' A' ' 82' ' ' PRO . . . -99.02 163.49 18.63 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.753 ' HA ' ' HB1' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -75.0 -1.35 17.79 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.972 -2.512 . . . . 0.0 111.0 -0.021 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.492 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -49.91 157.29 0.62 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -92.67 150.56 20.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.247 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.941 HD11 ' CB ' ' A' ' 80' ' ' ALA . 35.3 mm -120.33 166.04 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.087 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.6 ' CD1' ' O ' ' A' ' 85' ' ' ILE . 16.1 m-85 -161.43 170.0 20.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.1 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 37.1 mt -120.69 157.54 29.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.682 HD12 ' HB3' ' A' ' 7' ' ' PRO . 0.0 OUTLIER -96.33 37.44 1.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.466 ' HA ' HG23 ' A' ' 4' ' ' THR . 4.3 tt0 81.7 -72.35 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 110.246 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.537 ' HA ' HG21 ' A' ' 69' ' ' THR . 0.8 OUTLIER 160.34 121.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 86.14 104.55 0.75 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.434 1.084 . . . . 0.0 111.003 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.476 HG22 ' CB ' ' A' ' 62' ' ' HIS . 1.9 pp -56.94 -24.66 20.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.507 0.769 . . . . 0.0 109.394 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 97' ' ' LYS . 0.5 OUTLIER -41.21 -29.84 0.14 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.093 . . . . 0.0 109.304 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.417 ' N ' ' C ' ' A' ' 92' ' ' ILE . . . -48.99 -33.76 14.36 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.348 1.03 . . . . 0.0 110.971 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.611 ' CD1' ' O ' ' A' ' 100' ' ' LEU . 36.4 t-105 -63.52 -65.07 0.73 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.2 ptmm? -61.24 -17.49 53.61 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.443 1.089 . . . . 0.0 109.269 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 93' ' ' ASP . 9.5 tmtt? -63.6 -13.29 40.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.574 ' HB3' HD12 ' A' ' 100' ' ' LEU . . . -112.13 23.62 13.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.416 1.073 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 62.46 41.0 99.81 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.54 1.15 . . . . 0.0 110.906 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.611 ' O ' ' CD1' ' A' ' 95' ' ' TRP . 1.8 mt -136.27 98.62 11.29 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.441 0.73 . . . . 0.0 109.257 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -176.09 2.7 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.478 1.778 . . . . 0.0 110.952 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.546 HG12 ' HD3' ' A' ' 35' ' ' PRO . 17.7 m -90.53 -177.43 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.885 ' HB3' ' HB3' ' A' ' 33' ' ' HIS . . . -82.93 104.87 13.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.409 1.068 . . . . 0.0 109.242 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -102.3 178.82 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.585 1.178 . . . . 0.0 109.222 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 22.3 m-20 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 109.279 -179.985 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.63 ' C ' HD12 ' A' ' 2' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.8 m -130.15 166.15 20.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 110.436 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.486 ' HB ' HD12 ' A' ' 87' ' ' LEU . 3.8 t -143.05 139.84 30.7 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.507 1.129 . . . . 0.0 110.44 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.2 pt -148.01 -176.51 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.428 1.08 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.42 161.63 78.15 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.547 1.154 . . . . 0.0 109.988 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.424 ' O ' ' N ' ' A' ' 11' ' ' GLN . 18.7 Cg_endo -74.89 -40.92 0.79 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.504 1.792 . . . . 0.0 111.064 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -54.16 -50.12 67.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.554 1.159 . . . . 0.0 109.621 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.99 -44.75 68.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.567 1.167 . . . . 0.0 109.328 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.475 ' O ' HD12 ' A' ' 14' ' ' ILE . . . -59.39 -25.96 64.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.224 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 7' ' ' PRO . 13.0 tp60 -72.49 -4.44 30.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 110.361 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -96.65 -31.73 12.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.18 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.472 ' N ' HD23 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -74.7 -49.87 19.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.152 . . . . 0.0 109.376 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.813 ' HA ' ' HB3' ' A' ' 18' ' ' ALA . 6.2 mt -61.56 -39.75 84.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.29 -4.42 39.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.599 1.187 . . . . 0.0 109.382 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -98.09 -19.38 17.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 110.336 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 152.44 -31.08 0.86 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.509 1.131 . . . . 0.0 111.004 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.813 ' HB3' ' HA ' ' A' ' 14' ' ' ILE . . . -46.43 139.73 4.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 109.341 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 1.012 ' HD3' HD23 ' A' ' 54' ' ' LEU . 0.2 OUTLIER -92.51 157.73 16.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.085 . . . . 0.0 109.249 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -128.43 123.52 33.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.602 HG23 ' HB3' ' A' ' 40' ' ' ALA . 3.2 mp -114.18 150.1 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.458 ' OD2' HD12 ' A' ' 34' ' ' ILE . 1.4 t0 -128.13 114.74 17.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.259 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.2 pt -89.77 42.57 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.532 ' HD3' ' CG ' ' A' ' 29' ' ' TYR . 4.5 ptp180 -98.16 -177.03 3.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.264 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.24 -171.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 109.273 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -106.13 -98.92 0.34 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.436 ' HA ' ' CB ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -68.4 -27.22 66.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -57.08 -40.84 77.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 110.318 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.532 ' CG ' ' HD3' ' A' ' 24' ' ' ARG . 0.4 OUTLIER -107.63 1.02 22.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 111.015 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.548 ' O ' HD12 ' A' ' 30' ' ' LEU . 2.1 tp -44.31 -25.61 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.911 ' O ' HG23 ' A' ' 104' ' ' VAL . 0.1 OUTLIER -44.55 -50.27 9.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.329 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.688 ' HB3' HG21 ' A' ' 102' ' ' VAL . 2.9 mm-40 -96.94 147.26 24.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 110.29 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.892 ' HB3' ' HB3' ' A' ' 103' ' ' ALA . 9.2 t60 -119.06 -13.02 9.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.578 1.174 . . . . 0.0 109.566 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.86 HG22 ' HB2' ' A' ' 37' ' ' ALA . 0.0 OUTLIER 56.9 156.24 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.52 ' HG3' ' CE2' ' A' ' 95' ' ' TRP . 18.3 Cg_endo -75.13 96.37 1.02 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.557 1.819 . . . . 0.0 110.965 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.419 ' HB3' ' O ' ' A' ' 35' ' ' PRO . 30.7 tt0 68.08 91.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.216 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.86 ' HB2' HG22 ' A' ' 34' ' ' ILE . . . -134.47 -174.71 3.65 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.733 ' CB ' HD21 ' A' ' 54' ' ' LEU . 0.4 OUTLIER -167.47 102.22 0.5 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 38' ' ' ASP . 0.2 OUTLIER -39.57 135.78 1.09 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.602 ' HB3' HG23 ' A' ' 21' ' ' ILE . . . -177.68 81.61 0.24 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.087 . . . . 0.0 109.322 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 42' ' ' LEU . 18.2 Cg_endo -75.07 148.38 34.95 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.43 1.753 . . . . 0.0 110.968 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 46' ' ' GLU . 0.9 OUTLIER -39.05 -41.06 0.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.095 . . . . 0.0 109.341 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -50.58 -60.76 2.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.978 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.503 ' O ' ' CB ' ' A' ' 48' ' ' SER . 57.8 t -69.68 -41.43 80.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.544 HD11 HG21 ' A' ' 21' ' ' ILE . 8.1 mt -57.95 -24.16 56.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 42' ' ' LEU . 2.5 mt-10 -95.62 -58.87 2.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.322 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.78 -24.62 62.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 110.28 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 44' ' ' VAL . 1.6 t -101.58 -48.49 4.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.564 1.165 . . . . 0.0 110.016 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 51' ' ' PRO . . . 85.9 177.46 50.12 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.552 1.158 . . . . 0.0 111.014 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 49' ' ' GLY . 1.7 tp -37.52 98.21 0.15 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.616 0.833 . . . . 0.0 109.309 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.447 ' N ' ' O ' ' A' ' 49' ' ' GLY . 18.2 Cg_endo -74.93 142.94 28.71 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.429 1.752 . . . . 0.0 110.967 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.94 -45.42 70.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.269 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.2 pttt -50.12 -23.34 2.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.419 1.074 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 1.012 HD23 ' HD3' ' A' ' 19' ' ' LYS . 2.5 mt -127.9 39.2 3.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 -111.35 131.03 55.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -159.59 -151.73 0.28 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.437 1.085 . . . . 0.0 109.635 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.78 -54.76 4.86 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.144 . . . . 0.0 110.324 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.514 ' HB3' ' CE2' ' A' ' 86' ' ' PHE . 1.8 mt-30 -135.34 119.06 17.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.603 1.189 . . . . 0.0 110.255 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.1 pt -100.33 179.0 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 109.263 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.447 ' CD1' ' HB2' ' A' ' 86' ' ' PHE . 21.5 mm -134.39 155.5 39.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.095 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.416 ' CZ ' HD13 ' A' ' 45' ' ' LEU . 1.9 m-85 -140.21 142.75 35.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 110.98 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.558 ' CE1' ' O ' ' A' ' 63' ' ' CYS . 0.0 OUTLIER -142.22 136.72 30.15 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 109.572 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.558 ' O ' ' CE1' ' A' ' 62' ' ' HIS . 0.1 OUTLIER -89.54 178.87 6.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 108.331 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -41.79 -59.61 1.63 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 110.278 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -141.38 59.32 1.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.253 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 41.89 -161.45 0.03 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.535 1.147 . . . . 0.0 111.015 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.15 61.35 2.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 0.787 . . . . 0.0 109.329 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.43 56.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.467 1.105 . . . . 0.0 110.274 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.586 HG21 HD22 ' A' ' 87' ' ' LEU . 1.9 p -120.35 -56.51 1.98 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.391 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 38.0 t -47.94 -32.25 6.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.974 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -47.03 -45.56 21.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -155.33 60.35 0.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.576 ' HB1' HD22 ' A' ' 2' ' ' LEU . . . -72.62 -34.81 67.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.71 -53.5 57.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.254 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.3 mmtm -51.22 -45.12 61.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 79.1 mt -61.7 -42.21 98.64 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.441 ' HA ' HD12 ' A' ' 85' ' ' ILE . . . -75.28 -5.03 42.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -117.92 11.95 13.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 2.9 mt -101.69 -34.07 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.832 ' HB3' HD11 ' A' ' 85' ' ' ILE . . . -123.85 48.71 1.84 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.754 ' HB1' ' HA ' ' A' ' 82' ' ' PRO . . . -102.88 163.63 17.18 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.754 ' HA ' ' HB1' ' A' ' 81' ' ' ALA . 18.1 Cg_endo -75.06 -0.64 17.48 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 120.978 -2.509 . . . . 0.0 110.957 0.057 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.682 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -41.42 159.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -88.56 153.7 20.93 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.597 1.185 . . . . 0.0 110.254 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.832 HD11 ' HB3' ' A' ' 80' ' ' ALA . 5.8 mt -144.59 154.56 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.566 ' CD1' ' O ' ' A' ' 85' ' ' ILE . 21.9 m-85 -145.29 147.04 31.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 111.064 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.586 HD22 HG21 ' A' ' 69' ' ' THR . 19.5 mt -82.67 159.11 22.71 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.4 1.063 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -122.51 91.34 3.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.596 1.185 . . . . 0.0 109.353 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -39.78 112.45 0.26 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.427 1.08 . . . . 0.0 110.298 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 60.8 116.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -75.04 -98.33 0.11 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.512 1.132 . . . . 0.0 110.932 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 10.9 mm -54.36 -55.09 16.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.485 0.756 . . . . 0.0 109.29 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.41 -26.77 8.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -75.98 -49.88 8.26 Favored Glycine 0 CA--C 1.529 0.914 0 O-C-N 124.563 1.164 . . . . 0.0 111.061 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.52 ' CE2' ' HG3' ' A' ' 35' ' ' PRO . 46.7 t-105 -67.89 -37.75 82.16 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.14 0.5 44.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.573 1.171 . . . . 0.0 109.279 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -14.43 42.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.918 ' HB3' HD12 ' A' ' 100' ' ' LEU . . . -126.92 27.35 6.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.455 1.097 . . . . 0.0 109.341 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 55.52 44.96 85.64 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.47 1.106 . . . . 0.0 110.995 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.918 HD12 ' HB3' ' A' ' 98' ' ' ALA . 2.6 mt -111.0 111.82 55.99 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.452 0.736 . . . . 0.0 109.367 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 160.75 39.81 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.456 1.766 . . . . 0.0 110.986 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.688 HG21 ' HB3' ' A' ' 32' ' ' GLU . 18.7 m -91.37 -163.36 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.892 ' HB3' ' HB3' ' A' ' 33' ' ' HIS . . . -96.99 73.4 2.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.911 HG23 ' O ' ' A' ' 31' ' ' ARG . 4.2 p -83.91 -143.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.59 1.181 . . . . 0.0 109.263 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.776 ' N ' HG13 ' A' ' 104' ' ' VAL . 4.3 m-20 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.561 HD13 ' HB ' ' A' ' 85' ' ' ILE . 5.4 mt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.948 HG21 ' CE2' ' A' ' 86' ' ' PHE . 13.4 m -146.6 171.02 15.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.378 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.426 HG22 ' N ' ' A' ' 5' ' ' ILE . 8.4 m -140.56 166.08 25.7 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 0.0 110.493 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.426 ' N ' HG22 ' A' ' 4' ' ' THR . 5.3 tt -173.0 171.48 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -110.05 152.52 43.13 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.012 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 82.66 1.96 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.505 1.792 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -167.76 -51.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.582 1.176 . . . . 0.0 109.598 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.92 -26.58 15.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.562 ' HA ' HD21 ' A' ' 13' ' ' LEU . . . -61.26 -24.14 66.16 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.447 1.092 . . . . 0.0 109.247 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -77.05 -0.39 24.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.243 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -101.11 -48.19 4.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.354 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.562 HD21 ' HA ' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -66.95 -34.81 78.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.265 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.862 ' HA ' ' HB3' ' A' ' 18' ' ' ALA . 49.7 mt -65.95 -46.97 86.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.38 -6.61 44.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.218 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.3 mtp-105 -95.21 -21.98 18.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 165.36 -44.15 0.29 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.492 1.12 . . . . 0.0 110.965 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.862 ' HB3' ' HA ' ' A' ' 14' ' ' ILE . . . -43.44 125.97 4.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 0.0 109.28 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.95 152.78 18.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.769 HD12 ' CG2' ' A' ' 60' ' ' ILE . 0.5 OUTLIER -119.16 118.42 31.31 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.445 1.091 . . . . 0.0 109.293 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.5 mp -103.43 146.29 11.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.322 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.85 108.99 17.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.437 HG22 ' HA ' ' A' ' 41' ' ' PRO . 8.8 pt -105.19 49.83 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.1 ptt180 -117.48 -176.0 2.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.43 1.081 . . . . 0.0 110.301 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.02 151.02 19.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' A' ' 29' ' ' TYR . . . -77.53 -44.21 29.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.267 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -52.28 -28.39 18.73 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 109.374 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -73.05 -26.97 61.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.28 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.404 ' N ' ' O ' ' A' ' 26' ' ' ALA . 34.9 t80 -91.09 -19.03 23.58 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 tp -50.35 -40.53 49.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.2 mtm180 -101.56 -73.4 0.65 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.753 ' HB3' HG21 ' A' ' 102' ' ' VAL . 35.9 mt-10 -57.9 155.75 10.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.444 1.09 . . . . 0.0 110.304 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.466 ' O ' ' C ' ' A' ' 34' ' ' ILE . 2.8 t60 -164.86 85.14 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.568 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.856 HG23 ' HD2' ' A' ' 35' ' ' PRO . 52.6 mt -35.98 145.64 0.22 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.545 1.153 . . . . 0.0 109.262 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.856 ' HD2' HG23 ' A' ' 34' ' ' ILE . 18.2 Cg_endo -75.0 27.67 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.47 1.774 . . . . 0.0 110.949 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.509 ' H ' ' C ' ' A' ' 34' ' ' ILE . 2.6 tt0 173.12 76.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.276 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -163.43 176.02 10.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -162.25 120.03 2.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.597 HD13 ' HD3' ' A' ' 41' ' ' PRO . 0.2 OUTLIER -47.18 138.04 7.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.546 ' HB2' ' O ' ' A' ' 39' ' ' LEU . . . 173.33 79.54 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.597 ' HD3' HD13 ' A' ' 39' ' ' LEU . 18.1 Cg_endo -75.04 151.71 39.69 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.55 1.816 . . . . 0.0 110.961 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 46' ' ' GLU . 0.8 OUTLIER -41.45 -40.19 1.71 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.373 1.046 . . . . 0.0 109.278 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.409 ' N ' ' HG ' ' A' ' 42' ' ' LEU . 2.7 m -51.65 -56.55 13.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 110.031 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.488 ' O ' ' CB ' ' A' ' 48' ' ' SER . 61.8 t -72.08 -43.7 66.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.481 HD12 ' O ' ' A' ' 40' ' ' ALA . 6.5 mt -58.7 -21.09 53.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.356 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 42' ' ' LEU . 2.3 mt-10 -86.18 -63.89 1.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.282 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.94 -19.79 63.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.412 1.07 . . . . 0.0 110.26 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 44' ' ' VAL . 8.4 t -100.68 -44.77 5.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.981 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 51' ' ' PRO . . . 84.1 146.04 7.17 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.432 1.082 . . . . 0.0 111.035 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 49' ' ' GLY . 4.6 tp -37.84 98.72 0.17 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.536 0.786 . . . . 0.0 109.287 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.441 ' N ' ' O ' ' A' ' 49' ' ' GLY . 18.2 Cg_endo -75.03 158.67 41.97 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.484 1.781 . . . . 0.0 111.066 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.54 -36.8 71.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.297 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.01 -22.32 10.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.7 mt -131.43 39.87 3.47 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.556 1.16 . . . . 0.0 109.249 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.6 ttt180 -115.06 134.45 55.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 110.407 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -150.43 -165.57 2.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.589 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -81.39 -51.73 8.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.417 1.073 . . . . 0.0 110.312 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -141.51 91.45 2.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -86.73 172.51 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.769 ' CG2' HD12 ' A' ' 20' ' ' LEU . 10.7 tt -120.36 169.73 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.512 ' CE2' HD22 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -140.14 160.71 39.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.4 1.062 . . . . 0.0 110.979 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.623 ' CD2' HD21 ' A' ' 20' ' ' LEU . 2.6 p80 -172.93 152.39 2.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.59 1.181 . . . . 0.0 109.605 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 20.2 p -106.53 -157.27 0.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 108.273 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -41.05 -52.65 3.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.31 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -163.92 58.83 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 37.95 92.13 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 110.964 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.79 68.15 1.5 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.412 0.713 . . . . 0.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 73.07 99.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 48.7 p -115.76 -35.23 4.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 110.464 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.0 t -56.73 -19.35 16.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.972 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -52.9 -45.94 67.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -146.15 55.22 1.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.348 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.492 ' HB1' HD21 ' A' ' 87' ' ' LEU . . . -88.36 -30.56 19.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.75 -36.63 26.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.51 -37.8 85.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.512 HD22 ' CE2' ' A' ' 61' ' ' PHE . 82.6 mt -61.45 -43.92 98.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.347 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.571 ' O ' ' HB2' ' A' ' 81' ' ' ALA . . . -55.26 -50.38 69.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.18 -26.81 66.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.226 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -72.47 -32.55 42.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.317 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.608 ' CB ' HD11 ' A' ' 85' ' ' ILE . . . -124.19 48.78 1.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.754 ' HB1' ' HA ' ' A' ' 82' ' ' PRO . . . -105.84 163.48 16.98 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.754 ' HA ' ' HB1' ' A' ' 81' ' ' ALA . 17.9 Cg_endo -75.09 -4.68 21.02 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 120.95 -2.521 . . . . 0.0 111.001 0.131 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -41.79 139.8 1.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.397 1.06 . . . . 0.0 109.234 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.41 ' O ' HD13 ' A' ' 85' ' ' ILE . 1.8 mt-10 -77.16 136.99 38.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 110.274 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.608 HD11 ' CB ' ' A' ' 80' ' ' ALA . 10.9 mm -118.41 156.31 20.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.633 1.208 . . . . 0.0 109.256 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.948 ' CE2' HG21 ' A' ' 3' ' ' THR . 6.2 m-85 -135.85 166.83 22.39 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.467 1.104 . . . . 0.0 110.98 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.492 HD21 ' HB1' ' A' ' 73' ' ' ALA . 7.6 mt -115.57 150.5 36.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.24 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 89' ' ' GLU . 12.5 tp -121.08 115.78 23.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 88' ' ' LEU . 0.5 OUTLIER -38.15 -40.62 0.52 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.457 ' CB ' ' HB3' ' A' ' 93' ' ' ASP . 1.1 m-20 -157.79 134.34 9.73 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.495 1.122 . . . . 0.0 109.225 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.4 ' HA2' HD23 ' A' ' 88' ' ' LEU . . . -80.92 -83.25 0.76 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.478 1.111 . . . . 0.0 110.929 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.592 ' CD1' HG11 ' A' ' 102' ' ' VAL . 6.5 mm -55.17 -43.18 69.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.463 0.743 . . . . 0.0 109.287 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.457 ' HB3' ' CB ' ' A' ' 90' ' ' ASP . 0.8 OUTLIER -63.73 -12.93 39.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 109.27 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.453 ' O ' ' CB ' ' A' ' 97' ' ' LYS . . . -81.78 -55.73 3.1 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.615 1.197 . . . . 0.0 111.033 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.819 ' O ' HD12 ' A' ' 100' ' ' LEU . 29.5 t-105 -65.62 -39.97 92.07 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.445 ' CG ' ' HA ' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -78.29 0.11 26.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.336 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.453 ' CB ' ' O ' ' A' ' 94' ' ' GLY . 3.2 tptm -62.43 -21.21 65.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 1.075 ' HB3' ' CD1' ' A' ' 100' ' ' LEU . . . -120.49 28.48 7.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.597 1.185 . . . . 0.0 109.236 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 61.33 35.54 91.11 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.578 1.174 . . . . 0.0 110.988 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 1.075 ' CD1' ' HB3' ' A' ' 98' ' ' ALA . 0.2 OUTLIER -108.72 110.05 61.25 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.449 0.735 . . . . 0.0 109.349 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.429 ' O ' ' NE1' ' A' ' 95' ' ' TRP . 18.4 Cg_endo -74.94 156.01 43.26 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.475 1.776 . . . . 0.0 111.013 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.753 HG21 ' HB3' ' A' ' 32' ' ' GLU . 17.0 m -76.4 -179.08 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.595 1.185 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 33' ' ' HIS . . . -79.37 79.26 5.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.661 HG22 HG23 ' A' ' 102' ' ' VAL . 1.6 t -91.16 170.14 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.434 1.083 . . . . 0.0 109.345 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.424 ' H ' HG12 ' A' ' 104' ' ' VAL . 6.1 p30 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.375 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.568 ' HB ' ' CE2' ' A' ' 86' ' ' PHE . 1.6 m -127.78 165.33 20.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.37 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.539 ' O ' HG23 ' A' ' 5' ' ' ILE . 1.8 m -124.2 153.29 41.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.419 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.539 HG23 ' O ' ' A' ' 4' ' ' THR . 2.3 pp -154.5 -172.6 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.591 1.182 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -97.31 152.87 38.49 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.077 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.478 ' CB ' ' HA3' ' A' ' 94' ' ' GLY . 18.0 Cg_endo -74.98 -51.49 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.465 1.771 . . . . 0.0 110.937 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -47.76 -32.86 6.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.415 1.072 . . . . 0.0 109.611 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.8 -34.17 21.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 109.369 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.884 ' O ' HD12 ' A' ' 14' ' ' ILE . . . -62.04 -27.87 69.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.195 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.5 tm0? -76.42 -0.3 22.31 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.601 1.188 . . . . 0.0 110.325 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -104.79 -32.49 8.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.374 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.608 ' N ' HD23 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -76.76 -44.32 33.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.15 . . . . 0.0 109.29 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.884 HD12 ' O ' ' A' ' 10' ' ' ALA . 6.0 mt -64.2 -38.5 82.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.79 -7.88 58.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.415 1.072 . . . . 0.0 109.238 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.12 -22.78 18.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 110.263 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.601 ' O ' ' CE1' ' A' ' 56' ' ' HIS . . . 151.52 -23.5 0.95 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.482 ' HB3' ' HA ' ' A' ' 14' ' ' ILE . . . -56.23 146.86 22.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 0.753 . . . . 0.0 109.305 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.449 ' HD2' HD23 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -111.91 161.38 16.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.761 HD12 ' HB ' ' A' ' 60' ' ' ILE . 0.5 OUTLIER -126.57 152.57 46.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 109.255 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.888 ' CG2' ' HB3' ' A' ' 40' ' ' ALA . 16.9 mm -139.78 115.86 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.429 1.081 . . . . 0.0 109.353 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.479 ' OD2' ' HB1' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -90.6 147.55 23.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.438 HD12 ' O ' ' A' ' 23' ' ' ILE . 1.1 pp -106.67 46.21 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.4 ptp180 -105.7 -174.3 2.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 110.353 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -76.59 -173.97 2.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.133 . . . . 0.0 109.326 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 29' ' ' TYR . . . -91.73 -61.33 1.66 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -42.11 -45.75 4.08 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.409 ' O ' ' O ' ' A' ' 32' ' ' GLU . 1.6 mt-10 -51.88 -42.95 63.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.356 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.443 ' N ' ' O ' ' A' ' 26' ' ' ALA . 9.7 t80 -78.35 -24.13 46.6 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.449 1.093 . . . . 0.0 111.023 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.739 HD23 ' O ' ' A' ' 30' ' ' LEU . 5.7 tt -44.41 -31.35 1.04 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.231 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.44 -86.78 0.62 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 110.224 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.467 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 1.7 pm0 -92.86 155.03 17.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.299 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.788 ' CE1' ' HB3' ' A' ' 103' ' ' ALA . 1.9 p80 -156.0 -104.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 109.523 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.949 HG22 ' HB3' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -149.43 163.63 24.31 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.239 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.553 ' HG3' ' CE2' ' A' ' 95' ' ' TRP . 18.4 Cg_endo -75.0 93.13 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.54 1.811 . . . . 0.0 111.034 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.43 ' CB ' ' O ' ' A' ' 35' ' ' PRO . 27.1 tt0 80.97 76.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.252 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.949 ' HB3' HG22 ' A' ' 34' ' ' ILE . . . -171.17 169.15 6.56 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.533 1.146 . . . . 0.0 109.205 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -147.83 123.44 10.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.576 HD22 ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -41.43 137.35 1.52 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.888 ' HB3' ' CG2' ' A' ' 21' ' ' ILE . . . -163.89 78.35 1.58 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 42' ' ' LEU . 18.3 Cg_endo -75.14 162.01 37.45 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.411 1.742 . . . . 0.0 111.007 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.503 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 2.0 pp -38.21 -36.09 0.2 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.587 1.179 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.9 -58.72 6.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.62 1.2 . . . . 0.0 110.021 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.511 ' O ' ' CB ' ' A' ' 48' ' ' SER . 0.9 OUTLIER -72.09 -41.06 67.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.433 HD11 ' CZ ' ' A' ' 61' ' ' PHE . 39.2 mt -63.99 -14.0 50.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' A' ' 42' ' ' LEU . 3.4 mm-40 -99.71 -63.01 1.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.607 1.192 . . . . 0.0 110.337 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -42.55 85.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.339 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.511 ' CB ' ' O ' ' A' ' 44' ' ' VAL . 0.8 OUTLIER -82.5 -55.86 4.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.397 1.061 . . . . 0.0 109.999 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 51' ' ' PRO . . . 81.95 166.46 37.62 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.451 1.095 . . . . 0.0 111.033 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.585 HD12 ' HA ' ' A' ' 80' ' ' ALA . 1.3 tt -37.91 98.51 0.16 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.583 0.814 . . . . 0.0 109.301 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.437 ' N ' ' O ' ' A' ' 49' ' ' GLY . 18.6 Cg_endo -74.91 135.89 19.87 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.535 1.808 . . . . 0.0 111.047 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.81 -42.99 85.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.376 1.048 . . . . 0.0 109.26 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.36 -22.31 2.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.449 HD23 ' HD2' ' A' ' 19' ' ' LYS . 2.8 mt -131.23 39.56 3.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.42 ' NH2' ' HD2' ' A' ' 82' ' ' PRO . 41.2 ttt180 -112.15 134.72 53.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 110.223 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.601 ' CE1' ' O ' ' A' ' 17' ' ' GLY . 0.1 OUTLIER -142.02 -163.34 1.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.618 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.39 -58.59 2.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 110.283 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.549 ' CD ' ' CE1' ' A' ' 86' ' ' PHE . 14.0 tt0 -128.0 100.83 6.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 110.319 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.1 pt -95.85 176.31 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.761 ' HB ' HD12 ' A' ' 20' ' ' LEU . 64.9 mt -133.53 162.08 40.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.366 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.515 ' CD1' ' O ' ' A' ' 21' ' ' ILE . 1.0 OUTLIER -139.12 143.67 38.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.422 1.076 . . . . 0.0 111.014 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -140.53 131.99 26.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 109.581 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.698 ' SG ' HG22 ' A' ' 69' ' ' THR . 86.6 m -81.5 -72.26 0.44 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.118 . . . . 0.0 108.276 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -170.65 -42.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.321 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -160.39 48.98 0.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.06 -71.66 1.94 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.504 1.128 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 60.07 -93.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 0.755 . . . . 0.0 109.242 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.32 86.67 0.26 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.499 1.124 . . . . 0.0 110.284 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.698 HG22 ' SG ' ' A' ' 63' ' ' CYS . 52.1 p -91.26 -27.64 18.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 110.453 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 48.3 t -64.86 -18.81 65.49 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.111 . . . . 0.0 110.061 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.429 ' OD1' ' ND2' ' A' ' 72' ' ' ASN . 18.4 t-20 -52.92 -43.3 66.15 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.494 1.121 . . . . 0.0 109.21 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.429 ' ND2' ' OD1' ' A' ' 71' ' ' ASN . 45.9 m-20 -151.18 57.35 0.9 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.428 1.08 . . . . 0.0 109.244 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -82.45 -15.78 51.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.595 1.184 . . . . 0.0 109.325 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -75.97 -36.91 59.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.405 1.066 . . . . 0.0 109.325 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -65.39 -47.7 75.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.345 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 85.5 mt -59.6 -42.86 93.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.558 ' O ' ' HB2' ' A' ' 81' ' ' ALA . . . -65.29 -27.06 68.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.58 1.175 . . . . 0.0 109.258 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -89.47 -20.15 24.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.279 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.444 ' N ' ' O ' ' A' ' 75' ' ' LYS . 0.1 OUTLIER -75.34 -40.01 42.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.963 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -107.85 37.75 2.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.763 ' HB1' ' HA ' ' A' ' 82' ' ' PRO . . . -95.75 163.51 21.07 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.763 ' HA ' ' HB1' ' A' ' 81' ' ' ALA . 17.9 Cg_endo -74.99 0.3 16.59 Favored 'Cis proline' 0 C--N 1.36 1.178 0 C-N-CA 121.044 -2.482 . . . . 0.0 110.931 0.061 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.963 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -39.86 141.75 0.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.423 1.077 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -80.8 117.37 21.4 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.517 1.136 . . . . 0.0 110.334 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.9 mm -104.57 154.19 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.568 ' CE2' ' HB ' ' A' ' 3' ' ' THR . 8.2 m-85 -142.04 161.76 37.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 111.032 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -125.24 150.49 46.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.074 . . . . 0.0 109.353 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.25 146.88 50.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.418 ' HB3' ' CG2' ' A' ' 4' ' ' THR . 0.0 OUTLIER -76.52 60.55 1.63 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 110.342 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 62.18 139.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 67.67 108.11 0.02 OUTLIER Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.486 1.117 . . . . 0.0 111.039 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.819 ' O ' HD12 ' A' ' 92' ' ' ILE . 0.6 OUTLIER -73.39 -4.79 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 0.753 . . . . 0.0 109.329 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.514 ' O ' ' N ' ' A' ' 95' ' ' TRP . 11.6 m-20 -40.22 -90.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.378 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.478 ' HA3' ' CB ' ' A' ' 7' ' ' PRO . . . 33.71 -92.62 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.573 1.171 . . . . 0.0 110.926 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.594 ' CZ2' ' HB3' ' A' ' 100' ' ' LEU . 15.8 t-105 -39.28 -71.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.498 ' CG ' ' HA ' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -52.56 -32.04 38.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 94' ' ' GLY . 15.9 tttm -56.26 -23.34 35.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.824 ' HB3' HD12 ' A' ' 100' ' ' LEU . . . -90.01 12.27 18.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 67.2 47.81 62.32 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.451 1.095 . . . . 0.0 111.038 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.824 HD12 ' HB3' ' A' ' 98' ' ' ALA . 0.8 OUTLIER -137.46 118.25 10.63 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.495 0.762 . . . . 0.0 109.269 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 172.96 15.35 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.488 1.783 . . . . 0.0 111.008 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.467 ' CG2' ' HB2' ' A' ' 32' ' ' GLU . 15.6 m -79.85 -178.24 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.595 1.185 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.788 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . . . -80.17 115.85 19.95 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.621 HG12 ' H ' ' A' ' 105' ' ' ASN . 1.1 t -113.82 -172.15 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.435 1.084 . . . . 0.0 109.299 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.621 ' H ' HG12 ' A' ' 104' ' ' VAL . 24.3 t30 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 109.248 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.615 HD11 ' HA ' ' A' ' 74' ' ' ASP . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.564 ' HB ' ' CD2' ' A' ' 86' ' ' PHE . 2.2 m -132.8 166.39 22.37 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.575 1.172 . . . . 0.0 110.401 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.5 t -160.43 145.26 14.5 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.12 . . . . 0.0 110.459 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 29.2 pt -147.03 -171.61 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.242 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.8 p -94.57 157.69 36.71 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.002 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 60.3 5.47 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.473 1.775 . . . . 0.0 110.983 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -140.56 -47.24 0.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.55 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.84 -28.99 16.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.83 -23.85 65.4 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.418 1.074 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.32 -3.74 35.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -96.13 -29.66 13.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.561 1.163 . . . . 0.0 110.256 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.443 ' N ' HD23 ' A' ' 13' ' ' LEU . 0.5 OUTLIER -79.13 -43.53 23.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.598 1.186 . . . . 0.0 109.314 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.407 ' HA ' ' O ' ' A' ' 18' ' ' ALA . 20.4 mm -65.02 -38.44 82.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.229 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.11 -3.04 47.14 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 109.393 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.85 -20.73 19.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.258 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 146.12 -17.14 1.73 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.446 1.091 . . . . 0.0 110.985 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.407 ' O ' ' HA ' ' A' ' 14' ' ' ILE . . . -66.38 144.6 56.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 0.774 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.498 ' CD ' HD23 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -92.04 167.03 12.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.372 179.902 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.541 HD23 ' HB2' ' A' ' 37' ' ' ALA . 0.9 OUTLIER -131.61 129.07 40.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.639 HD12 HD11 ' A' ' 59' ' ' ILE . 16.7 mt -132.49 155.73 41.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.434 1.084 . . . . 0.0 109.29 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -148.13 147.44 29.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 25.4 pt -94.74 43.21 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 -63.34 -178.46 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 110.276 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.424 ' CG ' ' N ' ' A' ' 26' ' ' ALA . 10.1 t70 -100.24 168.42 9.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.282 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.424 ' N ' ' CG ' ' A' ' 25' ' ' ASP . . . -68.16 -61.62 1.77 Allowed 'General case' 0 C--N 1.323 -0.582 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.411 ' N ' ' OD1' ' A' ' 25' ' ' ASP . 0.0 OUTLIER -54.09 -26.65 28.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -78.15 -14.36 59.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.227 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -104.63 -2.44 25.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.7 tp -62.3 -56.32 19.67 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -89.93 -64.42 1.14 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 110.327 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.929 ' HB3' HG21 ' A' ' 102' ' ' VAL . 46.3 mt-10 -76.4 155.45 34.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.318 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.804 ' HB2' ' HB3' ' A' ' 103' ' ' ALA . 79.2 m-70 -141.49 15.66 2.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.67 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.755 ' CG2' ' HB3' ' A' ' 37' ' ' ALA . 0.0 OUTLIER 55.39 163.63 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.605 ' HG3' ' CD1' ' A' ' 95' ' ' TRP . 18.3 Cg_endo -75.0 101.03 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.554 1.818 . . . . 0.0 111.034 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.442 ' O ' ' O ' ' A' ' 35' ' ' PRO . 2.8 tp10 42.41 96.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.582 1.176 . . . . 0.0 110.318 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.755 ' HB3' ' CG2' ' A' ' 34' ' ' ILE . . . -160.75 -174.07 4.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -150.36 125.99 10.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.78 143.34 42.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.471 ' HB3' ' CG2' ' A' ' 21' ' ' ILE . . . -169.83 69.52 0.62 Allowed Pre-proline 0 C--N 1.323 -0.55 0 O-C-N 124.534 1.146 . . . . 0.0 109.363 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 42' ' ' LEU . 17.9 Cg_endo -75.08 159.03 41.56 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.578 1.831 . . . . 0.0 110.954 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 46' ' ' GLU . 1.4 pp -39.53 -37.63 0.5 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.67 -54.5 40.84 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.503 1.127 . . . . 0.0 109.928 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 48' ' ' SER . 73.6 t -74.35 -36.96 44.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.528 HD22 ' CG2' ' A' ' 79' ' ' ILE . 10.2 mt -66.59 -17.03 64.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.221 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 42' ' ' LEU . 2.1 mt-10 -100.43 -42.85 6.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.148 . . . . 0.0 110.244 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.81 -26.36 54.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.428 1.08 . . . . 0.0 110.235 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -124.48 -63.74 1.17 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.145 . . . . 0.0 109.959 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 51' ' ' PRO . . . 95.03 179.25 37.31 Favored Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.441 1.088 . . . . 0.0 111.023 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.673 HD21 ' HG3' ' A' ' 55' ' ' ARG . 6.5 tp -38.01 98.7 0.17 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.478 0.752 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.439 ' N ' ' O ' ' A' ' 49' ' ' GLY . 18.2 Cg_endo -75.04 131.19 13.96 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.492 1.785 . . . . 0.0 110.965 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.17 -40.42 70.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.357 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.41 -22.94 2.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.498 HD23 ' CD ' ' A' ' 19' ' ' LYS . 2.8 mt -130.27 39.71 3.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.673 ' HG3' HD21 ' A' ' 50' ' ' LEU . 19.8 ttt180 -123.18 143.74 49.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.244 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -162.36 -161.32 0.73 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.623 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -57.18 -48.94 77.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.327 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -144.74 148.38 34.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 110.301 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.639 HD11 HD12 ' A' ' 21' ' ' ILE . 11.3 tt -144.45 164.46 13.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.363 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.525 HG22 ' HA ' ' A' ' 20' ' ' LEU . 1.2 tt -111.26 -174.82 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.573 ' CE1' HG22 ' A' ' 21' ' ' ILE . 0.5 OUTLIER -173.12 144.08 1.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.647 ' NE2' HD23 ' A' ' 88' ' ' LEU . 0.2 OUTLIER -113.31 -175.28 2.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.578 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.744 ' CB ' HG22 ' A' ' 69' ' ' THR . 24.3 t -156.05 69.94 0.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 0.0 108.355 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.408 ' CB ' ' O ' ' A' ' 63' ' ' CYS . 0.0 OUTLIER 80.05 -70.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -170.01 65.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 39.55 72.01 0.24 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.539 1.149 . . . . 0.0 111.012 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.43 -85.78 0.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 0.771 . . . . 0.0 109.253 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.92 72.04 1.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 110.296 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.744 HG22 ' CB ' ' A' ' 63' ' ' CYS . 23.3 p -66.42 -33.51 75.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.446 1.091 . . . . 0.0 110.367 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.4 t -44.38 -29.74 0.73 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 110.072 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -51.01 -63.7 1.04 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 0.0 109.218 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -130.81 47.36 2.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.632 ' HB2' ' O ' ' A' ' 69' ' ' THR . . . -94.08 -11.59 30.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.384 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.615 ' HA ' HD11 ' A' ' 2' ' ' LEU . 0.5 OUTLIER -74.88 -43.38 54.71 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.467 ' CG ' ' N ' ' A' ' 76' ' ' LEU . 37.4 pttt -62.1 -51.96 65.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.467 ' N ' ' CG ' ' A' ' 75' ' ' LYS . 81.0 mt -44.82 -48.7 11.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.423 1.077 . . . . 0.0 109.332 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.83 -59.29 5.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.84 -36.62 65.23 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.552 1.157 . . . . 0.0 109.228 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.528 ' CG2' HD22 ' A' ' 45' ' ' LEU . 8.9 mt -63.46 -27.93 43.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.281 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.694 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -117.79 42.02 2.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.856 ' HB1' ' HA ' ' A' ' 82' ' ' PRO . . . -134.61 166.06 32.03 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.856 ' HA ' ' HB1' ' A' ' 81' ' ' ALA . 18.0 Cg_endo -75.13 117.08 4.45 Favored 'Cis proline' 0 C--N 1.359 1.13 0 C-N-CA 121.008 -2.497 . . . . 0.0 110.941 0.109 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.694 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -161.92 160.06 27.41 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.365 1.041 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -81.33 93.72 6.61 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.525 HG13 ' HB3' ' A' ' 80' ' ' ALA . 13.1 mm -101.05 158.72 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.343 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.564 ' CD2' ' HB ' ' A' ' 3' ' ' THR . 48.0 m-85 -148.01 155.84 41.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.595 HD11 HD23 ' A' ' 2' ' ' LEU . 0.2 OUTLIER -118.6 148.52 42.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.312 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.647 HD23 ' NE2' ' A' ' 62' ' ' HIS . 10.0 tp -114.85 65.93 0.68 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.536 1.147 . . . . 0.0 109.356 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -69.18 75.49 0.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.299 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -159.41 130.1 5.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 93' ' ' ASP . . . -37.01 105.68 0.04 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.548 1.155 . . . . 0.0 110.947 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.433 ' C ' ' O ' ' A' ' 91' ' ' GLY . 3.3 tp -37.73 -32.93 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.44 0.729 . . . . 0.0 109.209 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 91' ' ' GLY . 1.5 m-20 -40.85 -30.83 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.344 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.428 ' N ' ' C ' ' A' ' 92' ' ' ILE . . . -45.41 -45.45 11.42 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.627 1.204 . . . . 0.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.605 ' CD1' ' HG3' ' A' ' 35' ' ' PRO . 37.6 t-105 -48.42 -70.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.2 tttt -55.15 -27.57 46.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.261 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -56.4 -18.15 10.22 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.703 ' HB3' HD12 ' A' ' 100' ' ' LEU . . . -106.39 22.93 14.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 59.07 45.16 95.67 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.451 1.094 . . . . 0.0 111.04 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.703 HD12 ' HB3' ' A' ' 98' ' ' ALA . 1.2 mt -137.95 105.42 8.1 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.523 0.778 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 174.65 12.43 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.517 1.798 . . . . 0.0 111.013 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.929 HG21 ' HB3' ' A' ' 32' ' ' GLU . 20.7 m -81.04 -172.7 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.439 1.087 . . . . 0.0 109.374 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.804 ' HB3' ' HB2' ' A' ' 33' ' ' HIS . . . -83.46 77.02 9.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.574 1.171 . . . . 0.0 109.347 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.623 HG12 ' H ' ' A' ' 105' ' ' ASN . 3.1 t -83.66 174.46 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.623 ' H ' HG12 ' A' ' 104' ' ' VAL . 33.6 m-80 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.418 1.074 . . . . 0.0 109.356 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.827 HD13 ' N ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.368 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.528 ' HB ' ' CD1' ' A' ' 86' ' ' PHE . 3.9 m -89.82 169.37 11.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.373 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.463 HG22 ' H ' ' A' ' 5' ' ' ILE . 85.1 m -111.3 172.62 6.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.364 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.918 HD13 HD11 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -172.65 177.6 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.516 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 0.6 OUTLIER 162.38 -51.4 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.927 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 6' ' ' SER . 18.3 Cg_endo -74.94 -163.35 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.447 1.762 . . . . 0.0 110.939 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.4 ' O ' ' N ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -44.4 -28.9 0.61 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.547 1.154 . . . . 0.0 109.575 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.528 ' HB3' HD11 ' A' ' 5' ' ' ILE . 0.8 OUTLIER -52.51 -32.43 40.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 0.0 109.363 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.529 ' HB2' HG23 ' A' ' 5' ' ' ILE . . . -81.57 -24.22 36.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.271 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 8' ' ' HIS . 13.4 tm0? -80.77 0.55 34.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.452 1.095 . . . . 0.0 110.264 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -97.81 -35.29 10.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.331 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.918 HD11 HD13 ' A' ' 5' ' ' ILE . 0.3 OUTLIER -74.98 -43.75 52.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 72.9 mt -62.5 -39.25 83.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.38 -7.0 56.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.329 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 40.1 mtt180 -98.27 -14.16 20.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.59 1.181 . . . . 0.0 110.308 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 103.03 30.76 5.32 Favored Glycine 0 CA--C 1.532 1.124 0 O-C-N 124.411 1.07 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.56 179.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 0.774 . . . . 0.0 109.356 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.78 97.33 3.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.706 HD22 HG21 ' A' ' 34' ' ' ILE . 8.0 tt -84.81 128.05 34.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.795 HG13 ' HB3' ' A' ' 40' ' ' ALA . 0.7 OUTLIER -105.76 126.91 61.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.365 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.402 ' CG ' ' SG ' ' A' ' 63' ' ' CYS . 0.2 OUTLIER -92.73 97.13 10.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.102 . . . . 0.0 109.316 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.536 HG23 HG23 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -94.61 39.65 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.577 1.173 . . . . 0.0 109.331 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.29 -177.42 4.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 110.268 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -41.77 142.5 0.65 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 1.028 ' HB1' HD21 ' A' ' 39' ' ' LEU . . . -120.44 -78.84 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -83.5 -17.07 43.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.91 -38.01 75.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.319 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.541 ' CD2' ' HB2' ' A' ' 31' ' ' ARG . 0.4 OUTLIER -114.58 -40.8 3.52 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.437 1.086 . . . . 0.0 110.997 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.727 ' O ' HD12 ' A' ' 30' ' ' LEU . 0.2 OUTLIER 39.21 29.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.375 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.541 ' HB2' ' CD2' ' A' ' 29' ' ' TYR . 42.4 mtt180 -99.64 -81.83 0.45 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 110.19 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -78.01 165.62 23.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.558 1.161 . . . . 0.0 110.21 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.846 ' HB3' ' HB3' ' A' ' 103' ' ' ALA . 2.8 t-160 -136.79 -144.89 0.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.595 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 1.001 HG22 ' HB2' ' A' ' 37' ' ' ALA . 0.1 OUTLIER -166.96 154.87 8.89 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 109.248 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.475 ' HG3' ' CE2' ' A' ' 95' ' ' TRP . 18.1 Cg_endo -75.09 107.51 2.5 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.509 1.794 . . . . 0.0 110.941 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 66.95 74.24 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.257 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 1.001 ' HB2' HG22 ' A' ' 34' ' ' ILE . . . -119.9 -173.18 2.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.763 ' OD2' HD12 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -177.7 108.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 1.028 HD21 ' HB1' ' A' ' 26' ' ' ALA . 4.0 mp -41.26 127.44 2.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.795 ' HB3' HG13 ' A' ' 21' ' ' ILE . . . -175.09 77.49 0.31 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.419 1.074 . . . . 0.0 109.303 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 42' ' ' LEU . 18.0 Cg_endo -75.13 151.51 39.04 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.551 1.816 . . . . 0.0 111.032 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 46' ' ' GLU . 1.3 pp -38.71 -39.01 0.45 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.7 m -53.08 -54.3 37.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.026 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.419 ' N ' ' O ' ' A' ' 41' ' ' PRO . 98.8 t -72.22 -44.36 64.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.095 . . . . 0.0 109.242 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.46 ' CD1' ' O ' ' A' ' 40' ' ' ALA . 36.7 mt -60.06 -19.71 54.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 42' ' ' LEU . 2.9 mt-10 -92.62 -56.79 2.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 110.225 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -21.34 66.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.399 1.062 . . . . 0.0 110.274 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 49' ' ' GLY . 8.5 t -101.19 -48.61 4.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.599 1.187 . . . . 0.0 109.99 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.52 ' O ' ' C ' ' A' ' 50' ' ' LEU . . . 60.16 130.13 0.01 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.52 ' C ' ' O ' ' A' ' 49' ' ' GLY . 0.2 OUTLIER 31.24 82.52 0.21 Allowed Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.496 0.762 . . . . 0.0 109.334 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 135.03 18.73 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.474 1.776 . . . . 0.0 111.038 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.44 -18.15 55.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.17 -16.79 48.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.618 HD13 HD11 ' A' ' 21' ' ' ILE . 14.9 mt -136.23 42.06 2.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.575 1.172 . . . . 0.0 109.269 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.3 ttt-85 -98.38 149.67 22.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.24 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -168.78 -149.59 0.08 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 109.616 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.55 ' O ' ' HB1' ' A' ' 83' ' ' ALA . 0.2 OUTLIER -107.54 -50.84 3.0 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.567 ' HB3' ' CE2' ' A' ' 86' ' ' PHE . 13.4 mt-30 -128.23 106.05 8.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.165 . . . . 0.0 110.248 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.839 HD12 ' N ' ' A' ' 60' ' ' ILE . 0.7 OUTLIER -100.83 173.46 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.839 ' N ' HD12 ' A' ' 59' ' ' ILE . 3.6 mm -118.19 146.03 23.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.669 ' HB3' HD23 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -136.73 99.74 4.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.997 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.608 ' CD2' ' O ' ' A' ' 88' ' ' LEU . 1.8 t-80 -178.75 -178.19 0.55 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.62 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.483 ' CB ' ' O ' ' A' ' 62' ' ' HIS . 0.8 OUTLIER 160.4 170.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.505 1.128 . . . . 0.0 108.301 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.529 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 36.2 tt0 65.2 -90.56 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.319 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.529 ' HB2' ' O ' ' A' ' 64' ' ' GLN . . . 173.87 52.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 138.7 162.0 8.99 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.504 1.128 . . . . 0.0 111.03 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.43 ' O ' ' CB ' ' A' ' 68' ' ' ARG . 4.9 tptp -170.0 -43.74 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 0.775 . . . . 0.0 109.272 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.43 ' CB ' ' O ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER 78.85 43.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.359 -179.917 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.467 ' CB ' HD22 ' A' ' 87' ' ' LEU . 11.4 p -64.06 -19.39 65.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.347 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 41.9 t -57.1 -17.67 11.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.014 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -62.4 -63.58 1.19 Allowed 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 63.0 m-80 -126.25 44.79 2.78 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.608 ' HA ' HD12 ' A' ' 76' ' ' LEU . . . -56.65 -20.22 20.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.594 1.184 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.65 -62.6 1.7 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.432 1.082 . . . . 0.0 109.257 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.64 -30.13 54.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.269 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.608 HD12 ' HA ' ' A' ' 73' ' ' ALA . 28.5 mt -71.61 -40.04 70.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.67 ' O ' ' HB2' ' A' ' 81' ' ' ALA . . . -78.9 0.94 25.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -110.13 -0.87 17.75 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -87.41 -44.94 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.399 1.062 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.823 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -109.27 38.07 2.41 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.582 1.176 . . . . 0.0 109.229 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.841 ' HB1' ' HA ' ' A' ' 82' ' ' PRO . . . -107.93 166.03 11.68 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.592 1.182 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.841 ' HA ' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -74.96 118.58 5.38 Favored 'Cis proline' 0 C--N 1.359 1.096 0 C-N-CA 121.0 -2.5 . . . . 0.0 110.986 -0.036 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.823 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -163.47 164.69 24.35 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.329 1.018 . . . . 0.0 109.266 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -102.75 76.8 1.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.341 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.741 HG21 ' HB3' ' A' ' 80' ' ' ALA . 18.0 pt -79.2 139.74 17.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.395 1.06 . . . . 0.0 109.319 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.567 ' CE2' ' HB3' ' A' ' 58' ' ' GLN . 13.1 m-85 -112.74 152.07 29.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.413 1.07 . . . . 0.0 110.977 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.669 HD23 ' HB3' ' A' ' 61' ' ' PHE . 0.2 OUTLIER -118.35 147.16 43.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.445 1.09 . . . . 0.0 109.361 179.912 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.638 HD22 HG22 ' A' ' 5' ' ' ILE . 0.3 OUTLIER -85.53 144.04 28.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -66.92 -160.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.105 . . . . 0.0 110.348 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -83.92 80.83 9.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 109.325 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 134.14 100.69 0.69 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.564 ' O ' HD12 ' A' ' 92' ' ' ILE . 1.2 pp -74.53 -3.61 4.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.479 0.752 . . . . 0.0 109.34 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 97' ' ' LYS . 2.4 p30 -50.46 -22.65 2.0 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 93' ' ' ASP . . . -37.24 -35.83 0.19 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.555 1.159 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.575 ' CZ2' ' HB3' ' A' ' 100' ' ' LEU . 19.5 t-105 -68.73 -60.59 2.29 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.3 ttpp -60.67 -15.5 29.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 93' ' ' ASP . 35.3 tttt -61.67 -15.4 39.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.556 ' HB3' HD12 ' A' ' 100' ' ' LEU . . . -109.19 23.16 14.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 62.45 40.32 98.94 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.502 1.126 . . . . 0.0 110.955 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.575 ' HB3' ' CZ2' ' A' ' 95' ' ' TRP . 1.0 OUTLIER -140.0 100.55 7.19 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.49 0.759 . . . . 0.0 109.343 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.416 ' O ' ' NE1' ' A' ' 95' ' ' TRP . 18.3 Cg_endo -74.99 -177.05 3.2 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.522 1.801 . . . . 0.0 110.937 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 22.3 m -85.78 -169.81 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.846 ' HB3' ' HB3' ' A' ' 33' ' ' HIS . . . -87.39 101.78 13.9 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.695 HG12 ' H ' ' A' ' 105' ' ' ASN . 1.4 t -92.56 -166.21 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.695 ' H ' HG12 ' A' ' 104' ' ' VAL . 16.6 p-10 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.269 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.765 ' C ' HD12 ' A' ' 2' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 87' ' ' LEU . 7.7 m -138.53 171.84 13.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.437 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.414 ' H ' HG22 ' A' ' 3' ' ' THR . 62.4 m -113.3 123.64 50.61 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.553 1.158 . . . . 0.0 110.408 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.597 HG23 ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -123.49 144.72 32.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 109.271 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.407 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 11.7 m -67.12 139.76 95.41 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.964 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.492 ' HB3' HD21 ' A' ' 88' ' ' LEU . 18.6 Cg_endo -75.09 0.41 8.98 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.534 1.807 . . . . 0.0 111.041 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -89.57 -32.69 17.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 109.616 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -101.87 -25.8 13.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.597 ' HB2' HG23 ' A' ' 5' ' ' ILE . . . -64.58 -26.98 68.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.344 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.6 tm0? -75.17 -2.42 27.71 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.541 1.15 . . . . 0.0 110.253 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -100.11 -47.78 4.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 110.245 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.563 HD12 ' HB3' ' A' ' 18' ' ' ALA . 3.6 pp -64.42 -37.05 86.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.373 1.045 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.832 ' HA ' ' HB3' ' A' ' 18' ' ' ALA . 9.1 mt -63.06 -49.52 83.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.17 -9.34 52.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.255 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -92.01 -22.61 19.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 110.36 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 162.12 -40.77 0.38 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.571 1.169 . . . . 0.0 111.029 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.832 ' HB3' ' HA ' ' A' ' 14' ' ' ILE . . . -43.44 143.68 0.87 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 0.805 . . . . 0.0 109.364 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.65 160.3 20.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.2 tt -114.71 158.77 21.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.155 . . . . 0.0 109.241 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.719 HG13 ' HB3' ' A' ' 40' ' ' ALA . 0.8 OUTLIER -137.32 127.04 37.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.695 ' OD1' ' HB1' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -95.87 104.21 16.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 6.1 mt -90.77 41.11 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.132 . . . . 0.0 109.266 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -116.2 -173.57 2.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 110.281 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -42.47 158.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 0.0 109.303 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.81 ' HA ' HD11 ' A' ' 39' ' ' LEU . . . -109.8 -74.59 0.65 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -109.75 -8.33 14.94 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.418 1.074 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.01 -39.62 92.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.249 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.544 ' CD2' ' HB2' ' A' ' 31' ' ' ARG . 1.4 t80 -120.34 -45.27 2.44 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.517 1.135 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.817 HD23 ' O ' ' A' ' 30' ' ' LEU . 2.9 tt 31.4 44.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.544 ' HB2' ' CD2' ' A' ' 29' ' ' TYR . 3.9 mtt180 -95.26 -77.31 0.47 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 110.323 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.446 ' HB3' HG21 ' A' ' 102' ' ' VAL . 5.2 mp0 -65.24 168.97 6.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 110.221 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.428 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 5.3 t-160 -170.14 87.76 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.578 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.514 ' C ' ' H ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -44.28 156.73 0.32 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 109.217 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.566 ' HG3' ' CE2' ' A' ' 95' ' ' TRP . 17.9 Cg_endo -74.98 28.91 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.479 1.778 . . . . 0.0 110.943 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.514 ' H ' ' C ' ' A' ' 34' ' ' ILE . 1.4 mt-10 165.46 89.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 110.333 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.695 ' HB1' ' OD1' ' A' ' 22' ' ' ASP . . . -148.0 178.48 8.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.591 1.182 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.909 ' HB3' HD13 ' A' ' 54' ' ' LEU . 52.0 m-20 -159.32 104.26 1.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.245 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.81 HD11 ' HA ' ' A' ' 26' ' ' ALA . 4.1 tp -37.5 124.24 1.02 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.575 1.172 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.719 ' HB3' HG13 ' A' ' 21' ' ' ILE . . . -170.28 65.38 0.49 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.313 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.07 171.21 18.77 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.49 1.784 . . . . 0.0 110.997 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 46' ' ' GLU . 14.6 mt -46.9 -39.49 12.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.6 p -51.84 -56.27 14.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 109.898 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.606 HG13 ' HB2' ' A' ' 48' ' ' SER . 96.0 t -73.46 -39.23 54.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 O-C-N 124.404 1.065 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.7 mt -63.3 -17.75 62.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.38 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 42' ' ' LEU . 1.3 mm-40 -102.88 -60.11 1.6 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.552 1.157 . . . . 0.0 110.259 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.12 -41.35 94.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.374 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.606 ' HB2' HG13 ' A' ' 44' ' ' VAL . 0.3 OUTLIER -87.04 -53.93 4.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.98 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 50' ' ' LEU . . . 93.97 -171.17 31.14 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.519 1.137 . . . . 0.0 110.957 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.683 HD23 ' O ' ' A' ' 50' ' ' LEU . 6.4 tt -38.7 101.48 0.23 Allowed Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.49 0.759 . . . . 0.0 109.349 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 75.53 3.67 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.466 1.772 . . . . 0.0 110.992 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.78 -18.94 9.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.02 -28.82 69.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 109.271 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.909 HD13 ' HB3' ' A' ' 38' ' ' ASP . 0.4 OUTLIER -126.3 38.13 4.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.997 HH21 HD11 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -123.49 166.53 15.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 110.253 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -159.99 -161.63 0.91 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.628 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -52.74 -20.77 3.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 110.227 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -171.17 157.32 5.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 1.077 HD11 ' CD2' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -143.57 149.74 17.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.595 1.184 . . . . 0.0 109.261 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.401 HG22 ' HB2' ' A' ' 88' ' ' LEU . 0.9 OUTLIER -142.1 128.71 19.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.413 1.071 . . . . 0.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 1.077 ' CD2' HD11 ' A' ' 59' ' ' ILE . 0.8 OUTLIER -138.82 -171.34 3.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -173.22 151.19 2.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.626 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 21.3 p -49.39 172.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 108.266 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -54.54 -83.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.266 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -144.29 61.53 1.34 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -144.2 -138.86 3.41 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.421 1.076 . . . . 0.0 111.0 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.88 -166.57 2.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.422 0.719 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 66.34 78.84 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.362 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.462 ' O ' ' HB2' ' A' ' 73' ' ' ALA . 81.1 m -119.77 -39.58 2.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.59 1.181 . . . . 0.0 110.41 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 47.4 t -67.69 -14.19 62.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 110.056 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -48.65 -43.02 36.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.346 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 -152.11 50.64 0.79 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.406 1.066 . . . . 0.0 109.258 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.634 ' HB3' HD22 ' A' ' 2' ' ' LEU . . . -84.3 -11.25 56.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -64.54 -52.94 55.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 109.362 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -50.7 -46.52 58.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.421 ' HA ' ' CG2' ' A' ' 79' ' ' ILE . 17.7 mt -67.62 -45.57 75.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 109.349 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.411 ' HB2' ' HB3' ' A' ' 2' ' ' LEU . . . -53.97 -20.76 6.69 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.462 1.101 . . . . 0.0 109.397 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -104.74 -30.55 9.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.21 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.435 ' N ' ' O ' ' A' ' 75' ' ' LYS . 0.3 OUTLIER -60.45 -16.07 11.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 109.361 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.938 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -128.43 38.03 4.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.83 ' HB1' ' HA ' ' A' ' 82' ' ' PRO . . . -99.2 165.49 14.75 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.83 ' HA ' ' HB1' ' A' ' 81' ' ' ALA . 18.5 Cg_endo -74.96 0.83 16.13 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 120.953 -2.519 . . . . 0.0 111.03 -0.069 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.938 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -36.99 145.65 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.564 1.165 . . . . 0.0 109.299 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -81.62 117.76 22.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.328 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.997 HD11 HH21 ' A' ' 55' ' ' ARG . 7.9 mm -109.55 164.73 5.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.608 ' CD1' ' O ' ' A' ' 85' ' ' ILE . 10.2 m-85 -161.67 177.24 10.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 111.008 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.559 HD11 HD13 ' A' ' 2' ' ' LEU . 26.2 mt -119.7 153.79 35.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.247 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.492 HD21 ' HB3' ' A' ' 7' ' ' PRO . 9.0 tt -118.65 107.56 13.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 88' ' ' LEU . 0.0 OUTLIER -38.96 111.83 0.2 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 0.0 110.403 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.426 ' HB3' ' CB ' ' A' ' 93' ' ' ASP . 39.1 m-20 64.27 139.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 109.356 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -81.08 -95.7 0.42 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.512 1.133 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.426 HD12 ' HA ' ' A' ' 92' ' ' ILE . 10.6 tp -50.8 -43.91 25.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.551 0.795 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.426 ' CB ' ' HB3' ' A' ' 90' ' ' ASP . 0.5 OUTLIER -55.68 -19.65 11.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.441 ' O ' ' CB ' ' A' ' 97' ' ' LYS . . . -61.99 -76.37 0.25 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.514 1.134 . . . . 0.0 111.025 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.603 ' CZ3' HD13 ' A' ' 100' ' ' LEU . 22.9 t-105 -60.67 -22.77 64.24 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.0 tttt -87.38 -0.06 56.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.441 ' CB ' ' O ' ' A' ' 94' ' ' GLY . 13.2 tptp -56.9 -19.72 19.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 1.089 ' HB3' ' CD1' ' A' ' 100' ' ' LEU . . . -125.65 28.61 6.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.271 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 56.75 40.2 88.54 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.534 1.146 . . . . 0.0 111.013 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 1.089 ' CD1' ' HB3' ' A' ' 98' ' ' ALA . 0.3 OUTLIER -106.95 115.03 60.91 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.474 0.749 . . . . 0.0 109.351 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 152.69 40.74 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.526 1.803 . . . . 0.0 110.954 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.446 HG21 ' HB3' ' A' ' 32' ' ' GLU . 20.8 m -80.06 176.92 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 33' ' ' HIS . . . -79.54 76.65 6.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.415 1.072 . . . . 0.0 109.277 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.775 HG13 ' N ' ' A' ' 105' ' ' ASN . 3.2 p -85.31 -145.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.775 ' N ' HG13 ' A' ' 104' ' ' VAL . 16.3 p30 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.513 ' HA ' HD23 ' A' ' 2' ' ' LEU . 6.0 mt -71.74 88.55 1.0 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 109.232 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.575 ' HB ' ' CE2' ' A' ' 86' ' ' PHE . 1.7 m -129.0 166.27 19.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.394 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.454 HG23 ' N ' ' A' ' 5' ' ' ILE . 2.8 t -141.39 -170.06 3.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.555 1.159 . . . . 0.0 110.416 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.454 ' N ' HG23 ' A' ' 4' ' ' THR . 0.6 OUTLIER -153.55 -170.44 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.424 1.077 . . . . 0.0 109.336 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.5 p -107.31 147.41 35.18 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.013 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.84 60.73 5.38 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.468 1.772 . . . . 0.0 111.031 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -163.29 -43.99 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.571 1.17 . . . . 0.0 109.582 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -91.44 -29.0 17.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.23 -21.03 46.37 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.437 1.086 . . . . 0.0 109.328 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 20.5 tm0? -79.11 -2.6 41.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.281 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -94.94 -35.65 11.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.586 1.178 . . . . 0.0 110.184 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.72 ' N ' HD23 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -69.42 -49.66 53.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.426 1.079 . . . . 0.0 109.329 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.732 ' HA ' ' HB3' ' A' ' 18' ' ' ALA . 11.0 mt -59.95 -39.45 80.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.61 -3.92 46.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.1 mtp-105 -98.64 -20.87 16.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 110.274 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 130.83 42.41 0.2 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.603 1.189 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.732 ' HB3' ' HA ' ' A' ' 14' ' ' ILE . . . -111.67 131.27 55.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 0.785 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.23 134.89 35.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.254 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.682 ' HA ' HG22 ' A' ' 60' ' ' ILE . 6.1 tt -107.31 103.76 13.21 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.477 1.111 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.507 HG13 ' HB3' ' A' ' 40' ' ' ALA . 1.1 mp -86.05 115.53 27.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.236 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.459 ' OD1' ' N ' ' A' ' 22' ' ' ASP . 0.1 OUTLIER -91.17 106.49 18.55 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.744 HG22 HD11 ' A' ' 45' ' ' LEU . 5.0 pt -89.44 39.94 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.586 1.179 . . . . 0.0 109.253 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.643 ' NH1' ' CE1' ' A' ' 29' ' ' TYR . 3.1 ptp180 -116.88 -173.05 2.32 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.489 ' CB ' ' HB2' ' A' ' 28' ' ' GLU . 1.0 OUTLIER -59.6 174.26 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.407 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.477 ' HB2' HD21 ' A' ' 39' ' ' LEU . . . -120.66 -69.77 0.82 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.22 -39.97 74.79 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.489 ' HB2' ' CB ' ' A' ' 25' ' ' ASP . 3.9 mm-40 -59.27 -23.19 62.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 110.323 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.643 ' CE1' ' NH1' ' A' ' 24' ' ' ARG . 0.6 OUTLIER -118.64 0.82 11.59 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.502 1.126 . . . . 0.0 110.972 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 26' ' ' ALA . 2.4 tp -45.66 -25.99 0.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.6 1.188 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.423 ' N ' ' C ' ' A' ' 29' ' ' TYR . 2.8 mmp_? -54.15 -52.9 59.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.425 1.078 . . . . 0.0 110.301 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.729 ' HB2' HG21 ' A' ' 102' ' ' VAL . 1.1 pt-20 -116.84 152.54 34.22 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 0.0 110.34 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.552 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 0.2 OUTLIER -152.82 119.22 5.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.557 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.473 HG12 ' CD ' ' A' ' 35' ' ' PRO . 0.0 OUTLIER -45.94 163.42 0.22 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.239 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.557 ' HG3' ' CE2' ' A' ' 95' ' ' TRP . 18.5 Cg_endo -74.95 47.57 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.486 1.782 . . . . 0.0 111.011 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.445 ' CB ' ' O ' ' A' ' 35' ' ' PRO . 2.9 mt-10 164.49 -86.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.276 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.438 ' O ' ' CG ' ' A' ' 38' ' ' ASP . . . 50.21 179.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.419 1.075 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.82 ' HB3' HD13 ' A' ' 54' ' ' LEU . 53.7 m-20 -168.75 92.19 0.29 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.467 1.104 . . . . 0.0 109.245 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.477 HD21 ' HB2' ' A' ' 26' ' ' ALA . 0.3 OUTLIER -38.21 119.5 0.8 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.669 ' O ' HD11 ' A' ' 45' ' ' LEU . . . -171.7 66.05 0.41 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.43 ' O ' ' N ' ' A' ' 44' ' ' VAL . 18.3 Cg_endo -74.97 163.6 35.06 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.441 1.758 . . . . 0.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 46' ' ' GLU . 0.9 OUTLIER -41.19 -39.02 1.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.349 179.878 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.404 ' N ' ' HG ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -55.27 -48.2 74.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.019 -179.929 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.507 ' O ' ' CB ' ' A' ' 48' ' ' SER . 74.4 t -78.24 -39.36 24.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.744 HD11 HG22 ' A' ' 23' ' ' ILE . 9.5 mt -64.93 -17.45 64.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 42' ' ' LEU . 4.0 mt-10 -101.74 -59.05 1.77 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.458 1.099 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.57 -39.82 92.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.261 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.507 ' CB ' ' O ' ' A' ' 44' ' ' VAL . 0.3 OUTLIER -89.9 -54.58 3.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.99 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.34 -157.73 15.37 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.517 1.135 . . . . 0.0 111.032 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.78 HD12 ' O ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -46.13 141.05 4.8 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.508 0.769 . . . . 0.0 109.367 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 50' ' ' LEU . 18.5 Cg_endo -75.04 65.16 6.11 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.492 1.785 . . . . 0.0 110.991 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.48 -52.03 63.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.2 ptmt -54.57 -20.17 7.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.264 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.82 HD13 ' HB3' ' A' ' 38' ' ' ASP . 0.3 OUTLIER -130.07 39.3 3.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.364 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.404 ' N ' ' O ' ' A' ' 51' ' ' PRO . 4.2 ttt-85 -114.19 137.63 51.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 110.319 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 25.9 t-80 -139.47 -95.55 0.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.567 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -119.91 -52.61 2.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.293 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -132.1 119.07 20.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 110.329 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.468 HD11 ' HB1' ' A' ' 80' ' ' ALA . 1.1 pt -111.39 146.73 15.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.591 1.182 . . . . 0.0 109.241 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.682 HG22 ' HA ' ' A' ' 20' ' ' LEU . 5.9 tt -102.7 163.73 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.569 ' HZ ' HD22 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -146.04 97.14 2.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 111.0 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.504 ' O ' ' CB ' ' A' ' 63' ' ' CYS . 8.0 t60 -176.61 169.71 2.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.641 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 62' ' ' HIS . 0.8 OUTLIER 159.85 56.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 108.32 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -156.16 176.35 12.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.272 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -116.73 45.75 1.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 109.263 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 82.95 100.16 0.51 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.518 1.136 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -134.15 -78.12 0.46 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.496 0.762 . . . . 0.0 109.337 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.73 73.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.151 . . . . 0.0 110.363 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.7 m -89.55 -47.38 8.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.434 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.7 t -47.4 -25.4 1.03 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.946 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -45.16 -61.62 1.57 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.567 ' O ' HD12 ' A' ' 76' ' ' LEU . 16.0 m-20 -128.15 48.93 2.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.09 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -91.88 -5.85 52.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.535 1.147 . . . . 0.0 109.238 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 77' ' ' ALA . 0.0 OUTLIER -83.99 -77.93 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.422 1.076 . . . . 0.0 109.377 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.1 -26.79 0.81 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.453 1.096 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.567 HD12 ' O ' ' A' ' 72' ' ' ASN . 9.8 mt -66.98 -44.43 80.43 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 74' ' ' ASP . . . -62.38 -25.45 67.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -89.05 -13.5 38.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.345 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 12.2 mt -82.53 -30.32 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.78 ' O ' HD12 ' A' ' 50' ' ' LEU . . . -97.45 18.08 16.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.909 ' HB1' ' HA ' ' A' ' 82' ' ' PRO . . . -100.95 167.35 10.91 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.909 ' HA ' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -75.04 119.74 6.18 Favored 'Cis proline' 0 C--N 1.359 1.124 0 C-N-CA 120.99 -2.504 . . . . 0.0 111.015 0.033 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.645 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -174.07 159.51 3.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.514 ' C ' HD13 ' A' ' 85' ' ' ILE . 1.3 mm-40 -83.3 103.97 13.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 110.321 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.539 ' N ' HD13 ' A' ' 85' ' ' ILE . 1.6 mm -97.41 148.31 5.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 109.356 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.575 ' CE2' ' HB ' ' A' ' 3' ' ' THR . 29.8 m-85 -145.18 162.16 37.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.135 . . . . 0.0 110.946 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.461 HD11 ' CD2' ' A' ' 2' ' ' LEU . 20.2 mt -113.97 158.48 21.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.481 ' HB3' ' CG ' ' A' ' 62' ' ' HIS . 0.4 OUTLIER -103.53 120.49 40.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 91' ' ' GLY . 0.6 OUTLIER -37.67 129.99 1.07 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 110.303 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 89' ' ' GLU . 4.0 m-20 -38.95 96.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 89' ' ' GLU . . . 157.53 106.27 0.23 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.952 ' O ' HD13 ' A' ' 92' ' ' ILE . 0.0 OUTLIER -62.6 -14.09 12.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.462 0.742 . . . . 0.0 109.335 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.51 ' O ' ' N ' ' A' ' 95' ' ' TRP . 4.0 m-20 -39.03 -93.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.252 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 42.86 -91.07 0.01 OUTLIER Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.865 ' O ' HD12 ' A' ' 100' ' ' LEU . 6.8 t-105 -61.85 -33.52 74.33 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 16.8 tttt -86.29 -8.89 57.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.337 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.9 tptp -58.82 -22.64 59.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 1.067 ' HB3' HD11 ' A' ' 100' ' ' LEU . . . -108.01 23.56 14.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.266 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 55.95 49.54 66.31 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.607 1.192 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 1.067 HD11 ' HB3' ' A' ' 98' ' ' ALA . 0.3 OUTLIER -115.51 120.51 36.12 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.52 0.776 . . . . 0.0 109.311 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 149.96 37.36 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.385 1.729 . . . . 0.0 111.001 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.729 HG21 ' HB2' ' A' ' 32' ' ' GLU . 33.7 m -79.49 -177.0 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 109.255 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.552 ' O ' ' CD2' ' A' ' 33' ' ' HIS . . . -80.04 111.48 16.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.467 HG12 ' H ' ' A' ' 105' ' ' ASN . 1.7 t -99.33 171.24 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 109.267 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.467 ' H ' HG12 ' A' ' 104' ' ' VAL . 1.8 p-10 -60.4 -16.38 35.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.376 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.57 103.79 4.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 8.7 t -92.36 -59.32 2.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 109.928 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 . . . . . 0 C--N 1.326 -0.424 0 O-C-N 124.443 1.09 . . . . 0.0 110.312 -179.978 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 3' ' ' THR . . . . . . . . 0 N--CA 1.452 -0.363 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.526 HD23 ' N ' ' A' ' 2' ' ' LEU . 1.2 mt -56.34 89.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.434 ' N ' ' O ' ' A' ' 1' ' ' ALA . 1.5 m -122.09 165.58 15.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.572 1.17 . . . . 0.0 110.432 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.7 t -169.34 136.88 1.8 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.408 1.067 . . . . 0.0 110.487 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.759 HG13 HD11 ' A' ' 88' ' ' LEU . 27.6 pt -140.39 -171.92 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 O-C-N 124.455 1.097 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 m -104.61 158.66 31.52 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 110.006 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 58.46 4.92 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.477 1.778 . . . . 0.0 110.956 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -129.76 -45.18 1.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 109.593 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.26 -20.83 13.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.912 ' O ' HD12 ' A' ' 14' ' ' ILE . . . -72.57 -28.07 62.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.7 tm0? -73.41 -2.82 23.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.341 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -96.27 -49.98 4.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.234 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.536 HD21 ' HA ' ' A' ' 10' ' ' ALA . 1.0 OUTLIER -64.3 -37.57 87.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.423 1.077 . . . . 0.0 109.229 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.912 HD12 ' O ' ' A' ' 10' ' ' ALA . 5.6 mt -62.65 -47.31 93.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.88 -9.39 57.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.412 1.07 . . . . 0.0 109.252 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -91.51 -22.69 20.25 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 0.0 110.384 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 161.88 -40.03 0.39 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.875 ' HB3' ' HA ' ' A' ' 14' ' ' ILE . . . -42.65 117.09 0.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 0.776 . . . . 0.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.571 ' HD3' HD23 ' A' ' 54' ' ' LEU . 0.1 OUTLIER -81.62 157.68 24.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 109.304 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.885 HD12 HG21 ' A' ' 60' ' ' ILE . 0.3 OUTLIER -113.76 126.04 54.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.438 HG23 ' HB3' ' A' ' 40' ' ' ALA . 25.1 mm -128.39 143.23 41.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -138.55 142.84 39.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.589 1.181 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.584 HG22 HD12 ' A' ' 45' ' ' LEU . 42.4 pt -96.24 41.82 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.476 ' CZ ' ' OE1' ' A' ' 28' ' ' GLU . 3.7 ptm180 -84.03 177.34 8.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -87.11 176.46 7.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.347 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 29' ' ' TYR . . . -92.86 -49.08 6.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.464 1.102 . . . . 0.0 109.35 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -50.28 -27.82 6.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.421 1.076 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.476 ' OE1' ' CZ ' ' A' ' 24' ' ' ARG . 0.6 OUTLIER -76.34 -29.89 57.43 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.562 ' O ' ' CD1' ' A' ' 29' ' ' TYR . 3.9 t80 -86.5 -4.04 59.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.8 tp -65.48 -33.19 75.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.44 -76.67 0.61 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.448 1.093 . . . . 0.0 110.278 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.82 173.23 12.8 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 110.273 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.865 ' HB3' ' HB3' ' A' ' 103' ' ' ALA . 0.7 OUTLIER -143.74 -139.29 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 109.575 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.562 ' CG2' ' HB3' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -157.95 163.72 23.7 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.35 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.599 ' HG3' ' CD1' ' A' ' 95' ' ' TRP . 18.2 Cg_endo -74.98 80.96 2.31 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.527 1.804 . . . . 0.0 110.931 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 65.49 105.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.562 ' HB3' ' CG2' ' A' ' 34' ' ' ILE . . . -169.56 -173.29 1.62 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -154.43 121.57 5.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.31 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.8 135.51 51.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 109.318 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.584 ' O ' HG22 ' A' ' 23' ' ' ILE . . . -171.3 87.09 0.47 Allowed Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.467 1.104 . . . . 0.0 109.309 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.435 ' HA ' ' CB ' ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.03 152.0 40.09 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.483 1.781 . . . . 0.0 111.047 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 46' ' ' GLU . 0.6 OUTLIER -38.25 -38.3 0.34 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.596 1.185 . . . . 0.0 109.296 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.77 -62.1 1.87 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.627 1.204 . . . . 0.0 109.925 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 48' ' ' SER . 44.6 t -70.33 -37.33 70.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.584 HD12 HG22 ' A' ' 23' ' ' ILE . 13.5 mt -64.6 -17.97 64.48 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.424 1.078 . . . . 0.0 109.264 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 42' ' ' LEU . 0.9 OUTLIER -96.53 -45.45 6.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 110.345 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.27 -23.42 57.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.581 1.176 . . . . 0.0 110.341 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 44' ' ' VAL . 2.2 t -102.51 -56.88 2.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.007 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.422 ' O ' ' N ' ' A' ' 51' ' ' PRO . . . 83.44 161.94 32.29 Favored Glycine 0 CA--C 1.528 0.869 0 O-C-N 124.511 1.132 . . . . 0.0 111.08 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.437 HD22 ' HA ' ' A' ' 50' ' ' LEU . 1.0 OUTLIER -38.8 99.2 0.19 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.446 0.733 . . . . 0.0 109.31 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.422 ' N ' ' O ' ' A' ' 49' ' ' GLY . 18.5 Cg_endo -74.91 152.63 41.46 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.428 1.751 . . . . 0.0 111.049 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.69 -39.32 73.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.44 -23.85 17.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.346 1.029 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.571 HD23 ' HD3' ' A' ' 19' ' ' LYS . 2.3 mt -130.52 39.46 3.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 64.7 ttt180 -107.9 134.94 50.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.254 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -148.95 -164.24 1.98 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.458 1.099 . . . . 0.0 109.575 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -86.17 -32.92 20.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 110.293 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -142.51 113.16 7.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.412 1.07 . . . . 0.0 110.285 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.712 HD11 HD12 ' A' ' 85' ' ' ILE . 1.8 pp -111.76 152.18 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.885 HG21 HD12 ' A' ' 20' ' ' LEU . 19.8 tt -110.87 163.01 7.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.407 ' N ' ' O ' ' A' ' 86' ' ' PHE . 1.1 m-85 -135.82 152.93 51.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.575 ' CE1' ' HB2' ' A' ' 88' ' ' LEU . 24.0 m-70 -147.57 107.24 3.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.607 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -49.35 -71.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 108.282 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -162.42 -50.02 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 110.317 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -154.2 57.5 0.71 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.539 1.15 . . . . 0.0 109.351 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 53.87 174.19 0.07 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.489 1.118 . . . . 0.0 110.974 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? 66.78 157.63 0.12 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.478 0.752 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 58.84 35.35 24.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.428 ' C ' ' N ' ' A' ' 71' ' ' ASN . 69.8 p -101.14 -69.27 0.78 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 110.414 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.408 ' N ' ' OG1' ' A' ' 69' ' ' THR . 1.9 t -42.58 -27.77 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.049 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.428 ' N ' ' C ' ' A' ' 69' ' ' THR . 3.3 t-20 -45.77 -49.63 14.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.547 1.154 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -141.24 50.79 1.6 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.462 ' O ' ' HB2' ' A' ' 77' ' ' ALA . . . -81.54 -21.44 38.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.24 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.24 -57.34 3.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.91 -50.61 14.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.329 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 70.3 mt -65.65 -42.45 91.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.583 1.177 . . . . 0.0 109.278 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.462 ' HB2' ' O ' ' A' ' 73' ' ' ALA . . . -65.41 -11.91 47.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.538 1.148 . . . . 0.0 109.274 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -99.64 -15.58 18.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 2.0 mt -79.31 -14.19 13.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.43 1.081 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.84 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -136.87 45.21 2.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.412 1.07 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.804 ' HB1' ' HA ' ' A' ' 82' ' ' PRO . . . -103.89 165.02 14.18 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.453 1.095 . . . . 0.0 109.352 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.804 ' HA ' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -75.06 1.12 16.26 Favored 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 120.956 -2.518 . . . . 0.0 110.989 0.035 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.84 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -37.36 147.98 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.431 1.082 . . . . 0.0 109.264 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.808 ' C ' HD13 ' A' ' 85' ' ' ILE . 10.2 mt-10 -75.21 120.7 21.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.411 1.07 . . . . 0.0 110.254 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.808 HD13 ' C ' ' A' ' 84' ' ' GLU . 2.7 mm -114.12 152.24 15.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.606 1.191 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.602 ' CE1' ' O ' ' A' ' 59' ' ' ILE . 30.7 p90 -175.28 156.88 2.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.57 1.169 . . . . 0.0 111.018 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.687 ' N ' HD13 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -130.52 158.29 40.34 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.759 HD11 HG13 ' A' ' 5' ' ' ILE . 1.0 OUTLIER -98.73 117.15 32.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.568 1.167 . . . . 0.0 109.239 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -42.7 -70.21 0.11 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.472 1.107 . . . . 0.0 110.262 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -61.64 -60.92 2.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.243 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 65.3 -113.01 5.46 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.456 1.098 . . . . 0.0 111.018 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 11.5 mm -50.53 -50.44 21.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.489 0.758 . . . . 0.0 109.34 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.25 -37.97 70.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.533 1.146 . . . . 0.0 109.243 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -73.55 -48.44 17.93 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.465 1.103 . . . . 0.0 110.969 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.632 ' CD1' ' O ' ' A' ' 100' ' ' LEU . 57.2 t-105 -50.93 -44.09 60.19 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.2 tttm -75.72 -26.8 57.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.313 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 27.2 tttt -54.51 -20.02 6.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.847 ' HB3' HD12 ' A' ' 100' ' ' LEU . . . -109.99 24.14 13.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 53.38 43.16 65.61 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.46 1.1 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.847 HD12 ' HB3' ' A' ' 98' ' ' ALA . 4.1 mt -122.06 103.37 39.56 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.533 0.784 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 179.63 5.91 Favored 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.422 1.748 . . . . 0.0 110.978 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 20.0 m -88.94 -166.33 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.62 1.2 . . . . 0.0 109.298 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.865 ' HB3' ' HB3' ' A' ' 33' ' ' HIS . . . -91.89 97.21 10.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.52 HG12 ' H ' ' A' ' 105' ' ' ASN . 2.0 t -97.87 173.42 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.344 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.52 ' H ' HG12 ' A' ' 104' ' ' VAL . 63.5 t30 -144.76 74.81 1.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.372 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.51 179.95 7.07 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.516 1.135 . . . . 0.0 109.368 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 24.4 m 55.33 169.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.399 1.062 . . . . 0.0 110.001 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 55.1 tp60 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 110.271 -179.893 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.449 HD22 ' CG ' ' A' ' 87' ' ' LEU . 5.7 mt -63.95 107.96 1.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.347 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.8 m -103.06 165.94 10.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.419 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.9 t -137.38 134.04 35.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 110.42 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.523 ' HB ' ' HB2' ' A' ' 10' ' ' ALA . 1.9 pp -148.2 -174.36 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.085 . . . . 0.0 109.279 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.494 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 0.6 OUTLIER 163.68 -52.34 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.466 1.104 . . . . 0.0 110.037 -179.925 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 6' ' ' SER . 18.1 Cg_endo -75.06 -162.22 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.432 1.754 . . . . 0.0 111.012 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -44.13 -30.81 0.82 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.465 1.103 . . . . 0.0 109.607 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -53.76 -39.64 65.52 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.422 1.076 . . . . 0.0 109.271 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.523 ' HB2' ' HB ' ' A' ' 5' ' ' ILE . . . -74.57 -26.72 60.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.423 1.077 . . . . 0.0 109.303 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -81.0 1.11 32.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.32 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -98.11 -51.28 4.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.188 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.671 ' CD1' HD11 ' A' ' 60' ' ' ILE . 3.3 pp -62.55 -32.86 73.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.105 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 69.4 mt -67.38 -47.66 80.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.61 -7.79 49.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.574 1.171 . . . . 0.0 109.285 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -90.32 -22.01 21.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 110.272 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.596 ' O ' ' CD2' ' A' ' 56' ' ' HIS . . . 131.26 -4.27 5.57 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.529 1.143 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.465 ' CB ' ' O ' ' A' ' 13' ' ' LEU . . . -56.9 155.56 7.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.576 0.809 . . . . 0.0 109.319 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.461 ' HB3' HG22 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -123.03 152.03 41.35 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 1.033 HD23 ' HB2' ' A' ' 37' ' ' ALA . 0.5 OUTLIER -126.02 149.03 49.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.513 HG23 HG23 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -122.83 152.51 27.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.446 ' HA ' ' CD2' ' A' ' 62' ' ' HIS . 2.5 t70 -115.39 114.51 25.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.885 HG22 ' O ' ' A' ' 40' ' ' ALA . 1.5 pt -120.72 53.27 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.366 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.648 ' CZ ' ' CG ' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -126.07 179.55 5.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.305 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.441 ' O ' ' NE ' ' A' ' 24' ' ' ARG . 1.7 m-20 -40.83 146.23 0.16 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.542 1.151 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -115.87 -36.36 4.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.323 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -79.17 -30.71 43.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.413 ' HB2' ' CB ' ' A' ' 25' ' ' ASP . 1.3 mm-40 -83.45 -22.4 32.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.083 . . . . 0.0 110.294 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.648 ' CG ' ' CZ ' ' A' ' 24' ' ' ARG . 0.3 OUTLIER -110.88 -0.62 16.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 111.026 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 29' ' ' TYR . 0.9 OUTLIER -40.12 -32.65 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.413 ' N ' ' C ' ' A' ' 29' ' ' TYR . 5.0 mtp180 -79.1 -63.16 1.48 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 110.313 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.557 ' HB2' ' CD1' ' A' ' 29' ' ' TYR . 0.9 OUTLIER -61.54 165.74 4.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.277 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.862 ' HB3' ' HB3' ' A' ' 103' ' ' ALA . 3.2 t-160 -135.31 -140.33 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.532 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.046 HG21 ' HB3' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -155.02 162.35 27.42 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.088 . . . . 0.0 109.278 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.59 ' HG3' ' CD1' ' A' ' 95' ' ' TRP . 18.2 Cg_endo -75.07 -47.01 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.439 1.757 . . . . 0.0 111.026 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.493 ' O ' ' HB2' ' A' ' 37' ' ' ALA . 1.5 tt0 -152.19 92.19 1.68 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 110.275 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 1.046 ' HB3' HG21 ' A' ' 34' ' ' ILE . . . 176.02 -176.72 0.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.366 1.041 . . . . 0.0 109.366 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.457 ' CB ' HD11 ' A' ' 54' ' ' LEU . 0.1 OUTLIER -159.17 130.25 6.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 179.917 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.469 ' CD1' ' HD3' ' A' ' 41' ' ' PRO . 12.3 tp -40.02 145.14 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.885 ' O ' HG22 ' A' ' 23' ' ' ILE . . . 180.0 73.46 0.17 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 109.224 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.469 ' HD3' ' CD1' ' A' ' 39' ' ' LEU . 18.6 Cg_endo -75.04 160.9 39.48 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.516 1.798 . . . . 0.0 111.028 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.501 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -39.05 -34.76 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.573 1.17 . . . . 0.0 109.327 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.408 ' N ' ' HG ' ' A' ' 42' ' ' LEU . 38.8 p -57.14 -58.14 9.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 110.043 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 29.1 t -73.79 -32.66 35.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.113 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.415 ' HA ' HD23 ' A' ' 45' ' ' LEU . 15.8 mt -72.03 -14.39 61.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.501 ' CG ' ' O ' ' A' ' 42' ' ' LEU . 2.8 mm-40 -95.69 -45.19 7.12 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.51 1.131 . . . . 0.0 110.271 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -81.43 -28.03 34.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.209 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.68 -64.39 1.29 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.548 1.155 . . . . 0.0 110.04 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 51' ' ' PRO . . . 85.64 -170.02 43.63 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.456 1.097 . . . . 0.0 110.996 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 49' ' ' GLY . 13.9 tp -37.9 98.71 0.17 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.473 0.749 . . . . 0.0 109.26 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.441 ' N ' ' O ' ' A' ' 49' ' ' GLY . 18.3 Cg_endo -75.1 143.01 28.25 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.51 1.795 . . . . 0.0 110.95 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.38 -35.96 81.65 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.81 -19.88 60.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 0.0 109.253 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.457 HD11 ' CB ' ' A' ' 38' ' ' ASP . 1.6 mt -135.28 39.82 2.88 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.8 ttt85 -103.99 133.49 48.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.324 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 17' ' ' GLY . 3.0 t60 -142.87 -147.91 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.598 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -109.47 -16.71 13.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.276 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.402 ' HA ' ' O ' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -160.3 109.08 1.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.205 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.619 ' CG1' HD12 ' A' ' 85' ' ' ILE . 1.0 OUTLIER -107.33 -175.17 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.671 HD11 ' CD1' ' A' ' 13' ' ' LEU . 7.7 mt -140.68 173.13 10.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 109.228 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.605 ' H ' HG22 ' A' ' 60' ' ' ILE . 1.5 m-85 -136.69 134.14 36.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 111.055 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.446 ' CD2' ' HA ' ' A' ' 22' ' ' ASP . 0.0 OUTLIER -135.12 154.37 51.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.607 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -106.26 -169.61 1.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 108.256 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -66.57 -22.37 66.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 110.309 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -168.27 51.57 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 46.31 -163.5 0.13 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.465 1.103 . . . . 0.0 111.017 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.46 151.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 0.765 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 60.37 60.25 2.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.097 . . . . 0.0 110.312 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 92.0 m -119.14 -53.06 2.27 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.543 1.152 . . . . 0.0 110.44 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 28.0 t -55.16 -25.14 30.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.984 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -47.7 -50.13 25.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -144.04 54.25 1.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.243 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -83.63 -17.8 40.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.198 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.27 -55.1 5.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.601 1.188 . . . . 0.0 109.338 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.23 -42.12 39.47 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.429 ' HB3' ' CE2' ' A' ' 61' ' ' PHE . 83.1 mt -64.54 -43.58 93.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.118 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.59 -19.56 65.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.244 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -92.8 -9.5 40.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 109.364 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.5 mt -88.17 -29.6 5.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 109.293 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.8 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -115.34 38.48 3.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.142 . . . . 0.0 109.265 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.75 ' HB1' ' HA ' ' A' ' 82' ' ' PRO . . . -98.03 163.31 19.64 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.255 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.75 ' HA ' ' HB1' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -74.97 -0.94 17.38 Favored 'Cis proline' 0 C--N 1.361 1.185 0 C-N-CA 121.023 -2.491 . . . . 0.0 111.08 0.012 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.8 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -41.72 140.86 0.9 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.352 1.032 . . . . 0.0 109.276 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.402 ' O ' ' HA ' ' A' ' 58' ' ' GLN . 1.5 mt-10 -76.6 127.31 32.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.364 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.619 HD12 ' CG1' ' A' ' 59' ' ' ILE . 7.4 mm -113.7 154.42 15.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.589 1.18 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -134.58 -179.11 5.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 111.084 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.449 ' CG ' HD22 ' A' ' 2' ' ' LEU . 13.3 mt -112.99 151.25 30.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.477 HD22 ' CD1' ' A' ' 20' ' ' LEU . 51.9 tp -131.97 73.03 1.51 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -43.32 100.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 110.27 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 66.62 87.03 0.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.337 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 94' ' ' GLY . . . -73.53 -70.39 1.24 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.521 1.138 . . . . 0.0 111.073 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.6 tp -47.03 -38.8 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.462 0.742 . . . . 0.0 109.342 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.7 -31.11 46.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 91' ' ' GLY . . . -72.62 -30.47 64.1 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.501 1.126 . . . . 0.0 110.977 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.647 ' CZ3' HD13 ' A' ' 100' ' ' LEU . 32.1 t-105 -79.86 -39.08 31.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.04 0.35 45.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.259 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.98 -17.58 61.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.481 ' HB3' ' CD1' ' A' ' 100' ' ' LEU . . . -115.37 22.91 12.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 60.7 49.92 73.34 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.572 1.17 . . . . 0.0 111.022 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.647 HD13 ' CZ3' ' A' ' 95' ' ' TRP . 0.5 OUTLIER -133.48 99.25 14.51 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.506 0.768 . . . . 0.0 109.324 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 171.96 17.27 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.452 1.764 . . . . 0.0 111.056 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.461 HG12 ' HD3' ' A' ' 35' ' ' PRO . 35.2 m -84.03 -174.0 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.862 ' HB3' ' HB3' ' A' ' 33' ' ' HIS . . . -82.22 101.51 10.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.254 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.658 HG12 ' H ' ' A' ' 105' ' ' ASN . 2.0 t -96.65 179.69 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.658 ' H ' HG12 ' A' ' 104' ' ' VAL . 3.5 t-20 -47.33 -61.6 1.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.243 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.03 -75.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.604 1.19 . . . . 0.0 109.338 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 82.6 p -106.73 97.56 7.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.957 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 110.282 179.961 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.525 ' N ' ' H ' ' A' ' 85' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.537 HD23 ' N ' ' A' ' 2' ' ' LEU . 0.1 OUTLIER -91.24 69.25 6.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.552 ' HB ' ' CE2' ' A' ' 86' ' ' PHE . 1.8 m -111.27 166.22 11.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.415 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.466 HG23 ' HA ' ' A' ' 89' ' ' GLU . 22.6 m -148.87 137.07 20.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.583 1.177 . . . . 0.0 110.397 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.603 HD11 HD11 ' A' ' 60' ' ' ILE . 1.3 pp -148.16 172.28 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.093 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.1 m -76.46 152.39 83.49 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.608 1.192 . . . . 0.0 110.014 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.749 ' HA ' ' HB3' ' A' ' 10' ' ' ALA . 18.7 Cg_endo -74.92 -19.87 17.63 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.517 1.799 . . . . 0.0 111.079 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.24 -30.63 71.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.588 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -103.24 -21.25 13.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.898 ' O ' HD12 ' A' ' 14' ' ' ILE . . . -69.11 -28.32 66.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.623 1.202 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.2 tm0? -76.09 -0.24 21.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.58 1.175 . . . . 0.0 110.261 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -98.57 -49.4 4.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.615 1.197 . . . . 0.0 110.242 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.605 HD21 ' HA ' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -64.4 -40.79 96.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.389 1.056 . . . . 0.0 109.332 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.898 HD12 ' O ' ' A' ' 10' ' ' ALA . 9.3 mt -61.59 -44.94 99.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.419 1.074 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.2 -9.34 58.31 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.577 1.173 . . . . 0.0 109.235 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -91.25 -22.65 20.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.245 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.425 ' C ' ' CE1' ' A' ' 56' ' ' HIS . . . 156.51 -32.73 0.58 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.537 1.148 . . . . 0.0 111.027 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.802 ' HB3' ' HA ' ' A' ' 14' ' ' ILE . . . -46.19 121.59 3.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 0.752 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.91 160.84 21.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.277 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.629 HD23 ' HB2' ' A' ' 37' ' ' ALA . 0.5 OUTLIER -117.17 152.82 33.96 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.578 HG22 ' CB ' ' A' ' 61' ' ' PHE . 0.8 OUTLIER -135.39 156.48 38.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.429 ' OD2' ' NH1' ' A' ' 24' ' ' ARG . 0.2 OUTLIER -119.14 121.72 40.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 109.348 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.543 HD11 ' HA ' ' A' ' 63' ' ' CYS . 7.6 pt -110.73 54.48 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.429 ' NH1' ' OD2' ' A' ' 22' ' ' ASP . 0.0 OUTLIER -138.33 -179.08 5.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.342 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.22 -175.62 0.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 30' ' ' LEU . . . -111.02 -35.62 5.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.081 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -47.99 -45.8 31.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.407 ' CD ' ' CD ' ' A' ' 24' ' ' ARG . 13.7 pt-20 -66.8 -29.08 68.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.446 1.092 . . . . 0.0 110.279 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.422 ' HB2' ' NH2' ' A' ' 24' ' ' ARG . 4.3 t80 -82.54 -23.22 34.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 111.051 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.737 HD13 ' C ' ' A' ' 30' ' ' LEU . 1.3 tm? -52.76 -39.23 62.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -94.44 -71.24 0.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.326 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -81.37 167.23 19.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 110.28 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.885 ' HB3' ' HB3' ' A' ' 103' ' ' ALA . 5.3 t-160 -132.24 -143.66 0.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.579 1.174 . . . . 0.0 109.595 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.784 ' CG2' ' HB3' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -158.41 163.86 23.05 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.586 ' HG3' ' CD1' ' A' ' 95' ' ' TRP . 18.1 Cg_endo -75.08 85.38 1.54 Allowed 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.619 1.852 . . . . 0.0 110.882 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 64.66 99.87 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.621 1.201 . . . . 0.0 110.268 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.784 ' HB3' ' CG2' ' A' ' 34' ' ' ILE . . . -175.42 -172.54 0.57 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.577 1.173 . . . . 0.0 109.257 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.51 129.87 3.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.79 135.3 19.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -174.63 74.5 0.32 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 109.359 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.1 163.1 35.78 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.431 1.753 . . . . 0.0 110.923 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 46' ' ' GLU . 4.0 pp -40.59 -38.36 0.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.0 m -52.79 -61.66 2.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.989 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.418 ' O ' ' N ' ' A' ' 48' ' ' SER . 50.8 t -71.19 -35.14 57.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.2 mt -65.98 -17.71 64.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.207 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.746 ' HG2' HD11 ' A' ' 79' ' ' ILE . 3.8 mt-10 -104.22 -46.53 4.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.13 -35.1 69.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 110.282 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 44' ' ' VAL . 3.7 t -98.32 -59.37 1.76 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 109.969 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 94.49 171.72 37.92 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.401 1.063 . . . . 0.0 111.048 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.472 HD23 ' CB ' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -49.58 105.9 0.56 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.493 0.76 . . . . 0.0 109.288 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.43 ' HD2' HD13 ' A' ' 50' ' ' LEU . 18.1 Cg_endo -74.89 179.95 5.55 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.493 1.786 . . . . 0.0 111.021 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -102.3 -9.05 20.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -86.55 -15.28 40.44 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.601 1.188 . . . . 0.0 109.323 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.8 mt -135.94 41.61 2.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.5 ttt85 -100.05 154.48 18.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.266 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.425 ' CE1' ' C ' ' A' ' 17' ' ' GLY . 1.6 t-80 -173.03 -154.22 0.07 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.137 . . . . 0.0 109.633 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -95.07 -52.69 4.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.371 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -135.54 110.06 8.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.316 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.592 HD11 ' CD1' ' A' ' 85' ' ' ILE . 1.8 pt -93.1 139.77 17.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.856 HG21 HD11 ' A' ' 14' ' ' ILE . 8.0 tt -127.44 128.08 69.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.578 ' CB ' HG22 ' A' ' 21' ' ' ILE . 29.3 p90 -142.17 -169.53 2.96 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.547 1.155 . . . . 0.0 111.001 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.567 ' CE1' ' HB3' ' A' ' 88' ' ' LEU . 0.0 OUTLIER -146.33 164.49 32.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.607 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.543 ' HA ' HD11 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -75.51 -68.7 0.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 108.224 -179.886 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.592 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 1.7 tt0 -167.08 -68.41 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.462 1.101 . . . . 0.0 110.288 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.592 ' HB2' ' O ' ' A' ' 64' ' ' GLN . . . 169.64 82.57 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 177.77 176.24 45.62 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 43.5 tttm -76.25 71.82 2.98 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.466 0.745 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.53 80.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 110.323 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.537 HG21 ' HA ' ' A' ' 90' ' ' ASP . 40.6 p -119.01 -5.6 10.53 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.393 1.058 . . . . 0.0 110.417 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.413 ' C ' ' N ' ' A' ' 72' ' ' ASN . 0.6 OUTLIER -67.43 -52.29 41.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.572 1.17 . . . . 0.0 110.039 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 45.65 26.17 0.32 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.39 1.056 . . . . 0.0 109.28 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.413 ' N ' ' C ' ' A' ' 70' ' ' SER . 3.5 m-80 65.28 63.12 0.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.366 1.041 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -47.51 -33.21 6.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.193 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -49.11 -49.51 41.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 79' ' ' ILE . 0.4 OUTLIER -68.82 -48.46 63.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.546 1.154 . . . . 0.0 109.394 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 80' ' ' ALA . 97.0 mt -51.96 -42.48 62.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -53.81 -52.13 61.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.11 -29.48 65.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.234 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.746 HD11 ' HG2' ' A' ' 46' ' ' GLU . 0.1 OUTLIER -68.77 -36.02 72.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.919 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.941 ' CB ' HD11 ' A' ' 85' ' ' ILE . . . -110.73 40.28 2.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.34 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.753 ' HB1' ' HA ' ' A' ' 82' ' ' PRO . . . -99.02 163.49 18.63 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.753 ' HA ' ' HB1' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -75.0 -1.35 17.79 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.972 -2.512 . . . . 0.0 111.0 -0.021 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.492 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -49.91 157.29 0.62 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -92.67 150.56 20.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.247 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.941 HD11 ' CB ' ' A' ' 80' ' ' ALA . 35.3 mm -120.33 166.04 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.087 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.6 ' CD1' ' O ' ' A' ' 85' ' ' ILE . 16.1 m-85 -161.43 170.0 20.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.1 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 37.1 mt -120.69 157.54 29.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.682 HD12 ' HB3' ' A' ' 7' ' ' PRO . 0.0 OUTLIER -96.33 37.44 1.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.466 ' HA ' HG23 ' A' ' 4' ' ' THR . 4.3 tt0 81.7 -72.35 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 110.246 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.537 ' HA ' HG21 ' A' ' 69' ' ' THR . 0.8 OUTLIER 160.34 121.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 86.14 104.55 0.75 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.434 1.084 . . . . 0.0 111.003 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.476 HG22 ' CB ' ' A' ' 62' ' ' HIS . 1.9 pp -56.94 -24.66 20.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.507 0.769 . . . . 0.0 109.394 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 97' ' ' LYS . 0.5 OUTLIER -41.21 -29.84 0.14 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.093 . . . . 0.0 109.304 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.417 ' N ' ' C ' ' A' ' 92' ' ' ILE . . . -48.99 -33.76 14.36 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.348 1.03 . . . . 0.0 110.971 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.611 ' CD1' ' O ' ' A' ' 100' ' ' LEU . 36.4 t-105 -63.52 -65.07 0.73 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.2 ptmm? -61.24 -17.49 53.61 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.443 1.089 . . . . 0.0 109.269 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 93' ' ' ASP . 9.5 tmtt? -63.6 -13.29 40.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.574 ' HB3' HD12 ' A' ' 100' ' ' LEU . . . -112.13 23.62 13.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.416 1.073 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 62.46 41.0 99.81 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.54 1.15 . . . . 0.0 110.906 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.611 ' O ' ' CD1' ' A' ' 95' ' ' TRP . 1.8 mt -136.27 98.62 11.29 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.441 0.73 . . . . 0.0 109.257 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -176.09 2.7 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.478 1.778 . . . . 0.0 110.952 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.546 HG12 ' HD3' ' A' ' 35' ' ' PRO . 17.7 m -90.53 -177.43 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.885 ' HB3' ' HB3' ' A' ' 33' ' ' HIS . . . -82.93 104.87 13.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.409 1.068 . . . . 0.0 109.242 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -102.3 178.82 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.585 1.178 . . . . 0.0 109.222 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 22.3 m-20 -59.41 118.67 6.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 109.279 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -49.72 175.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 26.8 p -94.79 129.4 41.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 109.967 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 -179.96 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.63 ' C ' HD12 ' A' ' 2' ' ' LEU . 0.1 OUTLIER -80.53 109.61 15.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.8 m -130.15 166.15 20.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 110.436 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.486 ' HB ' HD12 ' A' ' 87' ' ' LEU . 3.8 t -143.05 139.84 30.7 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.507 1.129 . . . . 0.0 110.44 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.2 pt -148.01 -176.51 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.428 1.08 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.42 161.63 78.15 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.547 1.154 . . . . 0.0 109.988 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.424 ' O ' ' N ' ' A' ' 11' ' ' GLN . 18.7 Cg_endo -74.89 -40.92 0.79 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.504 1.792 . . . . 0.0 111.064 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -54.16 -50.12 67.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.554 1.159 . . . . 0.0 109.621 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.99 -44.75 68.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.567 1.167 . . . . 0.0 109.328 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.475 ' O ' HD12 ' A' ' 14' ' ' ILE . . . -59.39 -25.96 64.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.224 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 7' ' ' PRO . 13.0 tp60 -72.49 -4.44 30.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 110.361 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -96.65 -31.73 12.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.18 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.472 ' N ' HD23 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -74.7 -49.87 19.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.152 . . . . 0.0 109.376 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.813 ' HA ' ' HB3' ' A' ' 18' ' ' ALA . 6.2 mt -61.56 -39.75 84.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.29 -4.42 39.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.599 1.187 . . . . 0.0 109.382 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -98.09 -19.38 17.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 110.336 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 152.44 -31.08 0.86 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.509 1.131 . . . . 0.0 111.004 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.813 ' HB3' ' HA ' ' A' ' 14' ' ' ILE . . . -46.43 139.73 4.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 109.341 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 1.012 ' HD3' HD23 ' A' ' 54' ' ' LEU . 0.2 OUTLIER -92.51 157.73 16.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.085 . . . . 0.0 109.249 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -128.43 123.52 33.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.602 HG23 ' HB3' ' A' ' 40' ' ' ALA . 3.2 mp -114.18 150.1 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.458 ' OD2' HD12 ' A' ' 34' ' ' ILE . 1.4 t0 -128.13 114.74 17.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.259 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.2 pt -89.77 42.57 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.532 ' HD3' ' CG ' ' A' ' 29' ' ' TYR . 4.5 ptp180 -98.16 -177.03 3.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.264 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.24 -171.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 109.273 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -106.13 -98.92 0.34 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.436 ' HA ' ' CB ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -68.4 -27.22 66.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -57.08 -40.84 77.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 110.318 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.532 ' CG ' ' HD3' ' A' ' 24' ' ' ARG . 0.4 OUTLIER -107.63 1.02 22.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 111.015 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.548 ' O ' HD12 ' A' ' 30' ' ' LEU . 2.1 tp -44.31 -25.61 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.911 ' O ' HG23 ' A' ' 104' ' ' VAL . 0.1 OUTLIER -44.55 -50.27 9.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.329 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.688 ' HB3' HG21 ' A' ' 102' ' ' VAL . 2.9 mm-40 -96.94 147.26 24.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 110.29 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.892 ' HB3' ' HB3' ' A' ' 103' ' ' ALA . 9.2 t60 -119.06 -13.02 9.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.578 1.174 . . . . 0.0 109.566 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.86 HG22 ' HB2' ' A' ' 37' ' ' ALA . 0.0 OUTLIER 56.9 156.24 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.52 ' HG3' ' CE2' ' A' ' 95' ' ' TRP . 18.3 Cg_endo -75.13 96.37 1.02 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.557 1.819 . . . . 0.0 110.965 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.419 ' HB3' ' O ' ' A' ' 35' ' ' PRO . 30.7 tt0 68.08 91.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.216 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.86 ' HB2' HG22 ' A' ' 34' ' ' ILE . . . -134.47 -174.71 3.65 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.733 ' CB ' HD21 ' A' ' 54' ' ' LEU . 0.4 OUTLIER -167.47 102.22 0.5 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 38' ' ' ASP . 0.2 OUTLIER -39.57 135.78 1.09 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.602 ' HB3' HG23 ' A' ' 21' ' ' ILE . . . -177.68 81.61 0.24 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.087 . . . . 0.0 109.322 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 42' ' ' LEU . 18.2 Cg_endo -75.07 148.38 34.95 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.43 1.753 . . . . 0.0 110.968 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 46' ' ' GLU . 0.9 OUTLIER -39.05 -41.06 0.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.095 . . . . 0.0 109.341 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -50.58 -60.76 2.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.978 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.503 ' O ' ' CB ' ' A' ' 48' ' ' SER . 57.8 t -69.68 -41.43 80.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.544 HD11 HG21 ' A' ' 21' ' ' ILE . 8.1 mt -57.95 -24.16 56.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 42' ' ' LEU . 2.5 mt-10 -95.62 -58.87 2.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.322 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.78 -24.62 62.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 110.28 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 44' ' ' VAL . 1.6 t -101.58 -48.49 4.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.564 1.165 . . . . 0.0 110.016 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 51' ' ' PRO . . . 85.9 177.46 50.12 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.552 1.158 . . . . 0.0 111.014 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 49' ' ' GLY . 1.7 tp -37.52 98.21 0.15 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.616 0.833 . . . . 0.0 109.309 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.447 ' N ' ' O ' ' A' ' 49' ' ' GLY . 18.2 Cg_endo -74.93 142.94 28.71 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.429 1.752 . . . . 0.0 110.967 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.94 -45.42 70.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.269 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.2 pttt -50.12 -23.34 2.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.419 1.074 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 1.012 HD23 ' HD3' ' A' ' 19' ' ' LYS . 2.5 mt -127.9 39.2 3.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 -111.35 131.03 55.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -159.59 -151.73 0.28 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.437 1.085 . . . . 0.0 109.635 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.78 -54.76 4.86 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.144 . . . . 0.0 110.324 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.514 ' HB3' ' CE2' ' A' ' 86' ' ' PHE . 1.8 mt-30 -135.34 119.06 17.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.603 1.189 . . . . 0.0 110.255 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.1 pt -100.33 179.0 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 109.263 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.447 ' CD1' ' HB2' ' A' ' 86' ' ' PHE . 21.5 mm -134.39 155.5 39.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.095 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.416 ' CZ ' HD13 ' A' ' 45' ' ' LEU . 1.9 m-85 -140.21 142.75 35.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 110.98 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.558 ' CE1' ' O ' ' A' ' 63' ' ' CYS . 0.0 OUTLIER -142.22 136.72 30.15 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 109.572 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.558 ' O ' ' CE1' ' A' ' 62' ' ' HIS . 0.1 OUTLIER -89.54 178.87 6.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 108.331 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -41.79 -59.61 1.63 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 110.278 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -141.38 59.32 1.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.253 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 41.89 -161.45 0.03 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.535 1.147 . . . . 0.0 111.015 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.15 61.35 2.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 0.787 . . . . 0.0 109.329 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.43 56.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.467 1.105 . . . . 0.0 110.274 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.586 HG21 HD22 ' A' ' 87' ' ' LEU . 1.9 p -120.35 -56.51 1.98 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.391 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 38.0 t -47.94 -32.25 6.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.974 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -47.03 -45.56 21.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -155.33 60.35 0.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.576 ' HB1' HD22 ' A' ' 2' ' ' LEU . . . -72.62 -34.81 67.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.71 -53.5 57.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.254 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.3 mmtm -51.22 -45.12 61.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 79.1 mt -61.7 -42.21 98.64 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.441 ' HA ' HD12 ' A' ' 85' ' ' ILE . . . -75.28 -5.03 42.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -117.92 11.95 13.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 2.9 mt -101.69 -34.07 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.832 ' HB3' HD11 ' A' ' 85' ' ' ILE . . . -123.85 48.71 1.84 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.754 ' HB1' ' HA ' ' A' ' 82' ' ' PRO . . . -102.88 163.63 17.18 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.754 ' HA ' ' HB1' ' A' ' 81' ' ' ALA . 18.1 Cg_endo -75.06 -0.64 17.48 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 120.978 -2.509 . . . . 0.0 110.957 0.057 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.682 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -41.42 159.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -88.56 153.7 20.93 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.597 1.185 . . . . 0.0 110.254 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.832 HD11 ' HB3' ' A' ' 80' ' ' ALA . 5.8 mt -144.59 154.56 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.566 ' CD1' ' O ' ' A' ' 85' ' ' ILE . 21.9 m-85 -145.29 147.04 31.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 111.064 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.586 HD22 HG21 ' A' ' 69' ' ' THR . 19.5 mt -82.67 159.11 22.71 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.4 1.063 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -122.51 91.34 3.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.596 1.185 . . . . 0.0 109.353 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -39.78 112.45 0.26 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.427 1.08 . . . . 0.0 110.298 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 60.8 116.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -75.04 -98.33 0.11 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.512 1.132 . . . . 0.0 110.932 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 10.9 mm -54.36 -55.09 16.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.485 0.756 . . . . 0.0 109.29 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.41 -26.77 8.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -75.98 -49.88 8.26 Favored Glycine 0 CA--C 1.529 0.914 0 O-C-N 124.563 1.164 . . . . 0.0 111.061 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.52 ' CE2' ' HG3' ' A' ' 35' ' ' PRO . 46.7 t-105 -67.89 -37.75 82.16 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.14 0.5 44.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.573 1.171 . . . . 0.0 109.279 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -14.43 42.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.918 ' HB3' HD12 ' A' ' 100' ' ' LEU . . . -126.92 27.35 6.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.455 1.097 . . . . 0.0 109.341 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 55.52 44.96 85.64 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.47 1.106 . . . . 0.0 110.995 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.918 HD12 ' HB3' ' A' ' 98' ' ' ALA . 2.6 mt -111.0 111.82 55.99 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.452 0.736 . . . . 0.0 109.367 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 160.75 39.81 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.456 1.766 . . . . 0.0 110.986 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.688 HG21 ' HB3' ' A' ' 32' ' ' GLU . 18.7 m -91.37 -163.36 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.892 ' HB3' ' HB3' ' A' ' 33' ' ' HIS . . . -96.99 73.4 2.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.911 HG23 ' O ' ' A' ' 31' ' ' ARG . 4.2 p -83.91 -143.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.59 1.181 . . . . 0.0 109.263 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.776 ' N ' HG13 ' A' ' 104' ' ' VAL . 4.3 m-20 -140.91 99.84 3.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -76.15 106.26 7.66 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.428 1.08 . . . . 0.0 109.345 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 27.9 p -125.71 83.56 2.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.01 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.338 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.561 HD13 ' HB ' ' A' ' 85' ' ' ILE . 5.4 mt -65.49 -98.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.612 1.195 . . . . 0.0 109.297 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.948 HG21 ' CE2' ' A' ' 86' ' ' PHE . 13.4 m -146.6 171.02 15.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.378 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.426 HG22 ' N ' ' A' ' 5' ' ' ILE . 8.4 m -140.56 166.08 25.7 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 0.0 110.493 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.426 ' N ' HG22 ' A' ' 4' ' ' THR . 5.3 tt -173.0 171.48 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -110.05 152.52 43.13 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.012 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 82.66 1.96 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.505 1.792 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -167.76 -51.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.582 1.176 . . . . 0.0 109.598 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.92 -26.58 15.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.562 ' HA ' HD21 ' A' ' 13' ' ' LEU . . . -61.26 -24.14 66.16 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.447 1.092 . . . . 0.0 109.247 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -77.05 -0.39 24.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.243 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -101.11 -48.19 4.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.354 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.562 HD21 ' HA ' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -66.95 -34.81 78.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.265 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.862 ' HA ' ' HB3' ' A' ' 18' ' ' ALA . 49.7 mt -65.95 -46.97 86.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.38 -6.61 44.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.218 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.3 mtp-105 -95.21 -21.98 18.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 165.36 -44.15 0.29 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.492 1.12 . . . . 0.0 110.965 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.862 ' HB3' ' HA ' ' A' ' 14' ' ' ILE . . . -43.44 125.97 4.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 0.0 109.28 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.95 152.78 18.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.769 HD12 ' CG2' ' A' ' 60' ' ' ILE . 0.5 OUTLIER -119.16 118.42 31.31 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.445 1.091 . . . . 0.0 109.293 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.5 mp -103.43 146.29 11.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.322 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.85 108.99 17.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.437 HG22 ' HA ' ' A' ' 41' ' ' PRO . 8.8 pt -105.19 49.83 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.1 ptt180 -117.48 -176.0 2.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.43 1.081 . . . . 0.0 110.301 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.02 151.02 19.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' A' ' 29' ' ' TYR . . . -77.53 -44.21 29.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.267 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -52.28 -28.39 18.73 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 109.374 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -73.05 -26.97 61.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.28 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.404 ' N ' ' O ' ' A' ' 26' ' ' ALA . 34.9 t80 -91.09 -19.03 23.58 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 tp -50.35 -40.53 49.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.2 mtm180 -101.56 -73.4 0.65 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.753 ' HB3' HG21 ' A' ' 102' ' ' VAL . 35.9 mt-10 -57.9 155.75 10.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.444 1.09 . . . . 0.0 110.304 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.466 ' O ' ' C ' ' A' ' 34' ' ' ILE . 2.8 t60 -164.86 85.14 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.568 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.856 HG23 ' HD2' ' A' ' 35' ' ' PRO . 52.6 mt -35.98 145.64 0.22 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.545 1.153 . . . . 0.0 109.262 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.856 ' HD2' HG23 ' A' ' 34' ' ' ILE . 18.2 Cg_endo -75.0 27.67 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.47 1.774 . . . . 0.0 110.949 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.509 ' H ' ' C ' ' A' ' 34' ' ' ILE . 2.6 tt0 173.12 76.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.276 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -163.43 176.02 10.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -162.25 120.03 2.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.597 HD13 ' HD3' ' A' ' 41' ' ' PRO . 0.2 OUTLIER -47.18 138.04 7.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.546 ' HB2' ' O ' ' A' ' 39' ' ' LEU . . . 173.33 79.54 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.597 ' HD3' HD13 ' A' ' 39' ' ' LEU . 18.1 Cg_endo -75.04 151.71 39.69 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.55 1.816 . . . . 0.0 110.961 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 46' ' ' GLU . 0.8 OUTLIER -41.45 -40.19 1.71 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.373 1.046 . . . . 0.0 109.278 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.409 ' N ' ' HG ' ' A' ' 42' ' ' LEU . 2.7 m -51.65 -56.55 13.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 110.031 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.488 ' O ' ' CB ' ' A' ' 48' ' ' SER . 61.8 t -72.08 -43.7 66.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.481 HD12 ' O ' ' A' ' 40' ' ' ALA . 6.5 mt -58.7 -21.09 53.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.356 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 42' ' ' LEU . 2.3 mt-10 -86.18 -63.89 1.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.282 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.94 -19.79 63.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.412 1.07 . . . . 0.0 110.26 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 44' ' ' VAL . 8.4 t -100.68 -44.77 5.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.981 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 51' ' ' PRO . . . 84.1 146.04 7.17 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.432 1.082 . . . . 0.0 111.035 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 49' ' ' GLY . 4.6 tp -37.84 98.72 0.17 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.536 0.786 . . . . 0.0 109.287 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.441 ' N ' ' O ' ' A' ' 49' ' ' GLY . 18.2 Cg_endo -75.03 158.67 41.97 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.484 1.781 . . . . 0.0 111.066 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.54 -36.8 71.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.297 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.01 -22.32 10.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.7 mt -131.43 39.87 3.47 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.556 1.16 . . . . 0.0 109.249 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.6 ttt180 -115.06 134.45 55.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 110.407 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -150.43 -165.57 2.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.589 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -81.39 -51.73 8.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.417 1.073 . . . . 0.0 110.312 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -141.51 91.45 2.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -86.73 172.51 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.769 ' CG2' HD12 ' A' ' 20' ' ' LEU . 10.7 tt -120.36 169.73 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.512 ' CE2' HD22 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -140.14 160.71 39.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.4 1.062 . . . . 0.0 110.979 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.623 ' CD2' HD21 ' A' ' 20' ' ' LEU . 2.6 p80 -172.93 152.39 2.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.59 1.181 . . . . 0.0 109.605 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 20.2 p -106.53 -157.27 0.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 108.273 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -41.05 -52.65 3.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.31 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -163.92 58.83 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 37.95 92.13 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 110.964 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.79 68.15 1.5 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.412 0.713 . . . . 0.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 73.07 99.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 48.7 p -115.76 -35.23 4.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 110.464 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.0 t -56.73 -19.35 16.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.972 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -52.9 -45.94 67.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -146.15 55.22 1.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.348 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.492 ' HB1' HD21 ' A' ' 87' ' ' LEU . . . -88.36 -30.56 19.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.75 -36.63 26.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.51 -37.8 85.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.512 HD22 ' CE2' ' A' ' 61' ' ' PHE . 82.6 mt -61.45 -43.92 98.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.347 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.571 ' O ' ' HB2' ' A' ' 81' ' ' ALA . . . -55.26 -50.38 69.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.18 -26.81 66.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.226 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -72.47 -32.55 42.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.317 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.608 ' CB ' HD11 ' A' ' 85' ' ' ILE . . . -124.19 48.78 1.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.754 ' HB1' ' HA ' ' A' ' 82' ' ' PRO . . . -105.84 163.48 16.98 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.754 ' HA ' ' HB1' ' A' ' 81' ' ' ALA . 17.9 Cg_endo -75.09 -4.68 21.02 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 120.95 -2.521 . . . . 0.0 111.001 0.131 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -41.79 139.8 1.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.397 1.06 . . . . 0.0 109.234 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.41 ' O ' HD13 ' A' ' 85' ' ' ILE . 1.8 mt-10 -77.16 136.99 38.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 110.274 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.608 HD11 ' CB ' ' A' ' 80' ' ' ALA . 10.9 mm -118.41 156.31 20.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.633 1.208 . . . . 0.0 109.256 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.948 ' CE2' HG21 ' A' ' 3' ' ' THR . 6.2 m-85 -135.85 166.83 22.39 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.467 1.104 . . . . 0.0 110.98 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.492 HD21 ' HB1' ' A' ' 73' ' ' ALA . 7.6 mt -115.57 150.5 36.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.24 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 89' ' ' GLU . 12.5 tp -121.08 115.78 23.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 88' ' ' LEU . 0.5 OUTLIER -38.15 -40.62 0.52 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.457 ' CB ' ' HB3' ' A' ' 93' ' ' ASP . 1.1 m-20 -157.79 134.34 9.73 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.495 1.122 . . . . 0.0 109.225 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.4 ' HA2' HD23 ' A' ' 88' ' ' LEU . . . -80.92 -83.25 0.76 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.478 1.111 . . . . 0.0 110.929 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.592 ' CD1' HG11 ' A' ' 102' ' ' VAL . 6.5 mm -55.17 -43.18 69.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.463 0.743 . . . . 0.0 109.287 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.457 ' HB3' ' CB ' ' A' ' 90' ' ' ASP . 0.8 OUTLIER -63.73 -12.93 39.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 109.27 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.453 ' O ' ' CB ' ' A' ' 97' ' ' LYS . . . -81.78 -55.73 3.1 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.615 1.197 . . . . 0.0 111.033 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.819 ' O ' HD12 ' A' ' 100' ' ' LEU . 29.5 t-105 -65.62 -39.97 92.07 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.445 ' CG ' ' HA ' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -78.29 0.11 26.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.336 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.453 ' CB ' ' O ' ' A' ' 94' ' ' GLY . 3.2 tptm -62.43 -21.21 65.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 1.075 ' HB3' ' CD1' ' A' ' 100' ' ' LEU . . . -120.49 28.48 7.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.597 1.185 . . . . 0.0 109.236 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 61.33 35.54 91.11 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.578 1.174 . . . . 0.0 110.988 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 1.075 ' CD1' ' HB3' ' A' ' 98' ' ' ALA . 0.2 OUTLIER -108.72 110.05 61.25 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.449 0.735 . . . . 0.0 109.349 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.429 ' O ' ' NE1' ' A' ' 95' ' ' TRP . 18.4 Cg_endo -74.94 156.01 43.26 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.475 1.776 . . . . 0.0 111.013 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.753 HG21 ' HB3' ' A' ' 32' ' ' GLU . 17.0 m -76.4 -179.08 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.595 1.185 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 33' ' ' HIS . . . -79.37 79.26 5.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.661 HG22 HG23 ' A' ' 102' ' ' VAL . 1.6 t -91.16 170.14 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.434 1.083 . . . . 0.0 109.345 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.424 ' H ' HG12 ' A' ' 104' ' ' VAL . 6.1 p30 -66.04 106.89 1.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.375 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.39 -62.32 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 10.9 p -153.07 100.28 2.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.61 1.194 . . . . 0.0 109.979 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.9 pp0? . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 110.312 179.934 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.432 HD23 ' H ' ' A' ' 2' ' ' LEU . 0.1 OUTLIER -56.19 101.42 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.55 1.156 . . . . 0.0 109.368 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.568 ' HB ' ' CE2' ' A' ' 86' ' ' PHE . 1.6 m -127.78 165.33 20.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.37 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.539 ' O ' HG23 ' A' ' 5' ' ' ILE . 1.8 m -124.2 153.29 41.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.419 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.539 HG23 ' O ' ' A' ' 4' ' ' THR . 2.3 pp -154.5 -172.6 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.591 1.182 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -97.31 152.87 38.49 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.077 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.478 ' CB ' ' HA3' ' A' ' 94' ' ' GLY . 18.0 Cg_endo -74.98 -51.49 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.465 1.771 . . . . 0.0 110.937 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -47.76 -32.86 6.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.415 1.072 . . . . 0.0 109.611 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.8 -34.17 21.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 109.369 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.884 ' O ' HD12 ' A' ' 14' ' ' ILE . . . -62.04 -27.87 69.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.195 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.5 tm0? -76.42 -0.3 22.31 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.601 1.188 . . . . 0.0 110.325 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -104.79 -32.49 8.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.374 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.608 ' N ' HD23 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -76.76 -44.32 33.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.15 . . . . 0.0 109.29 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.884 HD12 ' O ' ' A' ' 10' ' ' ALA . 6.0 mt -64.2 -38.5 82.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.79 -7.88 58.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.415 1.072 . . . . 0.0 109.238 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.12 -22.78 18.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 110.263 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.601 ' O ' ' CE1' ' A' ' 56' ' ' HIS . . . 151.52 -23.5 0.95 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.482 ' HB3' ' HA ' ' A' ' 14' ' ' ILE . . . -56.23 146.86 22.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 0.753 . . . . 0.0 109.305 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.449 ' HD2' HD23 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -111.91 161.38 16.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.761 HD12 ' HB ' ' A' ' 60' ' ' ILE . 0.5 OUTLIER -126.57 152.57 46.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 109.255 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.888 ' CG2' ' HB3' ' A' ' 40' ' ' ALA . 16.9 mm -139.78 115.86 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.429 1.081 . . . . 0.0 109.353 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.479 ' OD2' ' HB1' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -90.6 147.55 23.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.438 HD12 ' O ' ' A' ' 23' ' ' ILE . 1.1 pp -106.67 46.21 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.4 ptp180 -105.7 -174.3 2.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 110.353 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -76.59 -173.97 2.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.133 . . . . 0.0 109.326 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 29' ' ' TYR . . . -91.73 -61.33 1.66 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -42.11 -45.75 4.08 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.409 ' O ' ' O ' ' A' ' 32' ' ' GLU . 1.6 mt-10 -51.88 -42.95 63.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.356 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.443 ' N ' ' O ' ' A' ' 26' ' ' ALA . 9.7 t80 -78.35 -24.13 46.6 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.449 1.093 . . . . 0.0 111.023 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.739 HD23 ' O ' ' A' ' 30' ' ' LEU . 5.7 tt -44.41 -31.35 1.04 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.231 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.44 -86.78 0.62 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 110.224 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.467 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 1.7 pm0 -92.86 155.03 17.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.299 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.788 ' CE1' ' HB3' ' A' ' 103' ' ' ALA . 1.9 p80 -156.0 -104.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 109.523 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.949 HG22 ' HB3' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -149.43 163.63 24.31 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.239 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.553 ' HG3' ' CE2' ' A' ' 95' ' ' TRP . 18.4 Cg_endo -75.0 93.13 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.54 1.811 . . . . 0.0 111.034 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.43 ' CB ' ' O ' ' A' ' 35' ' ' PRO . 27.1 tt0 80.97 76.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.252 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.949 ' HB3' HG22 ' A' ' 34' ' ' ILE . . . -171.17 169.15 6.56 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.533 1.146 . . . . 0.0 109.205 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -147.83 123.44 10.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.576 HD22 ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -41.43 137.35 1.52 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.888 ' HB3' ' CG2' ' A' ' 21' ' ' ILE . . . -163.89 78.35 1.58 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 42' ' ' LEU . 18.3 Cg_endo -75.14 162.01 37.45 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.411 1.742 . . . . 0.0 111.007 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.503 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 2.0 pp -38.21 -36.09 0.2 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.587 1.179 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.9 -58.72 6.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.62 1.2 . . . . 0.0 110.021 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.511 ' O ' ' CB ' ' A' ' 48' ' ' SER . 0.9 OUTLIER -72.09 -41.06 67.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.433 HD11 ' CZ ' ' A' ' 61' ' ' PHE . 39.2 mt -63.99 -14.0 50.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' A' ' 42' ' ' LEU . 3.4 mm-40 -99.71 -63.01 1.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.607 1.192 . . . . 0.0 110.337 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -42.55 85.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.339 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.511 ' CB ' ' O ' ' A' ' 44' ' ' VAL . 0.8 OUTLIER -82.5 -55.86 4.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.397 1.061 . . . . 0.0 109.999 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 51' ' ' PRO . . . 81.95 166.46 37.62 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.451 1.095 . . . . 0.0 111.033 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.585 HD12 ' HA ' ' A' ' 80' ' ' ALA . 1.3 tt -37.91 98.51 0.16 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.583 0.814 . . . . 0.0 109.301 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.437 ' N ' ' O ' ' A' ' 49' ' ' GLY . 18.6 Cg_endo -74.91 135.89 19.87 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.535 1.808 . . . . 0.0 111.047 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.81 -42.99 85.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.376 1.048 . . . . 0.0 109.26 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.36 -22.31 2.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.449 HD23 ' HD2' ' A' ' 19' ' ' LYS . 2.8 mt -131.23 39.56 3.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.42 ' NH2' ' HD2' ' A' ' 82' ' ' PRO . 41.2 ttt180 -112.15 134.72 53.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 110.223 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.601 ' CE1' ' O ' ' A' ' 17' ' ' GLY . 0.1 OUTLIER -142.02 -163.34 1.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.618 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.39 -58.59 2.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 110.283 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.549 ' CD ' ' CE1' ' A' ' 86' ' ' PHE . 14.0 tt0 -128.0 100.83 6.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 110.319 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.1 pt -95.85 176.31 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.761 ' HB ' HD12 ' A' ' 20' ' ' LEU . 64.9 mt -133.53 162.08 40.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.366 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.515 ' CD1' ' O ' ' A' ' 21' ' ' ILE . 1.0 OUTLIER -139.12 143.67 38.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.422 1.076 . . . . 0.0 111.014 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -140.53 131.99 26.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 109.581 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.698 ' SG ' HG22 ' A' ' 69' ' ' THR . 86.6 m -81.5 -72.26 0.44 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.118 . . . . 0.0 108.276 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -170.65 -42.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.321 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -160.39 48.98 0.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.06 -71.66 1.94 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.504 1.128 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 60.07 -93.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 0.755 . . . . 0.0 109.242 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.32 86.67 0.26 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.499 1.124 . . . . 0.0 110.284 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.698 HG22 ' SG ' ' A' ' 63' ' ' CYS . 52.1 p -91.26 -27.64 18.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 110.453 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 48.3 t -64.86 -18.81 65.49 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.111 . . . . 0.0 110.061 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.429 ' OD1' ' ND2' ' A' ' 72' ' ' ASN . 18.4 t-20 -52.92 -43.3 66.15 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.494 1.121 . . . . 0.0 109.21 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.429 ' ND2' ' OD1' ' A' ' 71' ' ' ASN . 45.9 m-20 -151.18 57.35 0.9 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.428 1.08 . . . . 0.0 109.244 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -82.45 -15.78 51.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.595 1.184 . . . . 0.0 109.325 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -75.97 -36.91 59.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.405 1.066 . . . . 0.0 109.325 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -65.39 -47.7 75.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.345 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 85.5 mt -59.6 -42.86 93.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.558 ' O ' ' HB2' ' A' ' 81' ' ' ALA . . . -65.29 -27.06 68.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.58 1.175 . . . . 0.0 109.258 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -89.47 -20.15 24.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.279 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.444 ' N ' ' O ' ' A' ' 75' ' ' LYS . 0.1 OUTLIER -75.34 -40.01 42.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.963 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -107.85 37.75 2.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.763 ' HB1' ' HA ' ' A' ' 82' ' ' PRO . . . -95.75 163.51 21.07 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.763 ' HA ' ' HB1' ' A' ' 81' ' ' ALA . 17.9 Cg_endo -74.99 0.3 16.59 Favored 'Cis proline' 0 C--N 1.36 1.178 0 C-N-CA 121.044 -2.482 . . . . 0.0 110.931 0.061 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.963 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -39.86 141.75 0.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.423 1.077 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -80.8 117.37 21.4 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.517 1.136 . . . . 0.0 110.334 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.9 mm -104.57 154.19 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.568 ' CE2' ' HB ' ' A' ' 3' ' ' THR . 8.2 m-85 -142.04 161.76 37.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 111.032 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -125.24 150.49 46.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.074 . . . . 0.0 109.353 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.25 146.88 50.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.418 ' HB3' ' CG2' ' A' ' 4' ' ' THR . 0.0 OUTLIER -76.52 60.55 1.63 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 110.342 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 62.18 139.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 67.67 108.11 0.02 OUTLIER Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.486 1.117 . . . . 0.0 111.039 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.819 ' O ' HD12 ' A' ' 92' ' ' ILE . 0.6 OUTLIER -73.39 -4.79 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 0.753 . . . . 0.0 109.329 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.514 ' O ' ' N ' ' A' ' 95' ' ' TRP . 11.6 m-20 -40.22 -90.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.378 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.478 ' HA3' ' CB ' ' A' ' 7' ' ' PRO . . . 33.71 -92.62 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.573 1.171 . . . . 0.0 110.926 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.594 ' CZ2' ' HB3' ' A' ' 100' ' ' LEU . 15.8 t-105 -39.28 -71.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.498 ' CG ' ' HA ' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -52.56 -32.04 38.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 94' ' ' GLY . 15.9 tttm -56.26 -23.34 35.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.824 ' HB3' HD12 ' A' ' 100' ' ' LEU . . . -90.01 12.27 18.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 67.2 47.81 62.32 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.451 1.095 . . . . 0.0 111.038 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.824 HD12 ' HB3' ' A' ' 98' ' ' ALA . 0.8 OUTLIER -137.46 118.25 10.63 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.495 0.762 . . . . 0.0 109.269 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 172.96 15.35 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.488 1.783 . . . . 0.0 111.008 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.467 ' CG2' ' HB2' ' A' ' 32' ' ' GLU . 15.6 m -79.85 -178.24 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.595 1.185 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.788 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . . . -80.17 115.85 19.95 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.621 HG12 ' H ' ' A' ' 105' ' ' ASN . 1.1 t -113.82 -172.15 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.435 1.084 . . . . 0.0 109.299 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.621 ' H ' HG12 ' A' ' 104' ' ' VAL . 24.3 t30 44.14 90.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 109.248 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 7.6 tttt -156.34 61.53 0.56 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.446 1.091 . . . . 0.0 109.294 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.2 t -109.71 90.68 3.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.398 1.061 . . . . 0.0 110.028 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 110.248 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.615 HD11 ' HA ' ' A' ' 74' ' ' ASP . 0.2 OUTLIER -52.55 101.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.366 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.564 ' HB ' ' CD2' ' A' ' 86' ' ' PHE . 2.2 m -132.8 166.39 22.37 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.575 1.172 . . . . 0.0 110.401 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.5 t -160.43 145.26 14.5 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.12 . . . . 0.0 110.459 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 29.2 pt -147.03 -171.61 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.242 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.8 p -94.57 157.69 36.71 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.002 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 60.3 5.47 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.473 1.775 . . . . 0.0 110.983 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -140.56 -47.24 0.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.55 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.84 -28.99 16.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.83 -23.85 65.4 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.418 1.074 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.32 -3.74 35.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -96.13 -29.66 13.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.561 1.163 . . . . 0.0 110.256 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.443 ' N ' HD23 ' A' ' 13' ' ' LEU . 0.5 OUTLIER -79.13 -43.53 23.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.598 1.186 . . . . 0.0 109.314 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.407 ' HA ' ' O ' ' A' ' 18' ' ' ALA . 20.4 mm -65.02 -38.44 82.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.229 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.11 -3.04 47.14 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 109.393 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.85 -20.73 19.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.258 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 146.12 -17.14 1.73 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.446 1.091 . . . . 0.0 110.985 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.407 ' O ' ' HA ' ' A' ' 14' ' ' ILE . . . -66.38 144.6 56.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 0.774 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.498 ' CD ' HD23 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -92.04 167.03 12.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.372 179.902 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.541 HD23 ' HB2' ' A' ' 37' ' ' ALA . 0.9 OUTLIER -131.61 129.07 40.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.639 HD12 HD11 ' A' ' 59' ' ' ILE . 16.7 mt -132.49 155.73 41.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.434 1.084 . . . . 0.0 109.29 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -148.13 147.44 29.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 25.4 pt -94.74 43.21 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 -63.34 -178.46 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 110.276 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.424 ' CG ' ' N ' ' A' ' 26' ' ' ALA . 10.1 t70 -100.24 168.42 9.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.282 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.424 ' N ' ' CG ' ' A' ' 25' ' ' ASP . . . -68.16 -61.62 1.77 Allowed 'General case' 0 C--N 1.323 -0.582 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.411 ' N ' ' OD1' ' A' ' 25' ' ' ASP . 0.0 OUTLIER -54.09 -26.65 28.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -78.15 -14.36 59.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.227 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -104.63 -2.44 25.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.7 tp -62.3 -56.32 19.67 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -89.93 -64.42 1.14 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 110.327 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.929 ' HB3' HG21 ' A' ' 102' ' ' VAL . 46.3 mt-10 -76.4 155.45 34.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.318 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.804 ' HB2' ' HB3' ' A' ' 103' ' ' ALA . 79.2 m-70 -141.49 15.66 2.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.67 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.755 ' CG2' ' HB3' ' A' ' 37' ' ' ALA . 0.0 OUTLIER 55.39 163.63 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.605 ' HG3' ' CD1' ' A' ' 95' ' ' TRP . 18.3 Cg_endo -75.0 101.03 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.554 1.818 . . . . 0.0 111.034 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.442 ' O ' ' O ' ' A' ' 35' ' ' PRO . 2.8 tp10 42.41 96.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.582 1.176 . . . . 0.0 110.318 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.755 ' HB3' ' CG2' ' A' ' 34' ' ' ILE . . . -160.75 -174.07 4.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -150.36 125.99 10.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.78 143.34 42.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.471 ' HB3' ' CG2' ' A' ' 21' ' ' ILE . . . -169.83 69.52 0.62 Allowed Pre-proline 0 C--N 1.323 -0.55 0 O-C-N 124.534 1.146 . . . . 0.0 109.363 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 42' ' ' LEU . 17.9 Cg_endo -75.08 159.03 41.56 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.578 1.831 . . . . 0.0 110.954 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 46' ' ' GLU . 1.4 pp -39.53 -37.63 0.5 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.67 -54.5 40.84 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.503 1.127 . . . . 0.0 109.928 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 48' ' ' SER . 73.6 t -74.35 -36.96 44.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.528 HD22 ' CG2' ' A' ' 79' ' ' ILE . 10.2 mt -66.59 -17.03 64.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.221 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 42' ' ' LEU . 2.1 mt-10 -100.43 -42.85 6.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.148 . . . . 0.0 110.244 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.81 -26.36 54.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.428 1.08 . . . . 0.0 110.235 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -124.48 -63.74 1.17 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.145 . . . . 0.0 109.959 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 51' ' ' PRO . . . 95.03 179.25 37.31 Favored Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.441 1.088 . . . . 0.0 111.023 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.673 HD21 ' HG3' ' A' ' 55' ' ' ARG . 6.5 tp -38.01 98.7 0.17 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.478 0.752 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.439 ' N ' ' O ' ' A' ' 49' ' ' GLY . 18.2 Cg_endo -75.04 131.19 13.96 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.492 1.785 . . . . 0.0 110.965 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.17 -40.42 70.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.357 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.41 -22.94 2.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.498 HD23 ' CD ' ' A' ' 19' ' ' LYS . 2.8 mt -130.27 39.71 3.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.673 ' HG3' HD21 ' A' ' 50' ' ' LEU . 19.8 ttt180 -123.18 143.74 49.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.244 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -162.36 -161.32 0.73 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.623 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -57.18 -48.94 77.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.327 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -144.74 148.38 34.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 110.301 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.639 HD11 HD12 ' A' ' 21' ' ' ILE . 11.3 tt -144.45 164.46 13.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.363 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.525 HG22 ' HA ' ' A' ' 20' ' ' LEU . 1.2 tt -111.26 -174.82 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.573 ' CE1' HG22 ' A' ' 21' ' ' ILE . 0.5 OUTLIER -173.12 144.08 1.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.647 ' NE2' HD23 ' A' ' 88' ' ' LEU . 0.2 OUTLIER -113.31 -175.28 2.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.578 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.744 ' CB ' HG22 ' A' ' 69' ' ' THR . 24.3 t -156.05 69.94 0.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 0.0 108.355 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.408 ' CB ' ' O ' ' A' ' 63' ' ' CYS . 0.0 OUTLIER 80.05 -70.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -170.01 65.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 39.55 72.01 0.24 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.539 1.149 . . . . 0.0 111.012 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.43 -85.78 0.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 0.771 . . . . 0.0 109.253 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.92 72.04 1.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 110.296 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.744 HG22 ' CB ' ' A' ' 63' ' ' CYS . 23.3 p -66.42 -33.51 75.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.446 1.091 . . . . 0.0 110.367 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.4 t -44.38 -29.74 0.73 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 110.072 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -51.01 -63.7 1.04 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 0.0 109.218 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -130.81 47.36 2.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.632 ' HB2' ' O ' ' A' ' 69' ' ' THR . . . -94.08 -11.59 30.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.384 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.615 ' HA ' HD11 ' A' ' 2' ' ' LEU . 0.5 OUTLIER -74.88 -43.38 54.71 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.467 ' CG ' ' N ' ' A' ' 76' ' ' LEU . 37.4 pttt -62.1 -51.96 65.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.467 ' N ' ' CG ' ' A' ' 75' ' ' LYS . 81.0 mt -44.82 -48.7 11.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.423 1.077 . . . . 0.0 109.332 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.83 -59.29 5.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.84 -36.62 65.23 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.552 1.157 . . . . 0.0 109.228 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.528 ' CG2' HD22 ' A' ' 45' ' ' LEU . 8.9 mt -63.46 -27.93 43.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.281 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.694 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -117.79 42.02 2.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.856 ' HB1' ' HA ' ' A' ' 82' ' ' PRO . . . -134.61 166.06 32.03 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.856 ' HA ' ' HB1' ' A' ' 81' ' ' ALA . 18.0 Cg_endo -75.13 117.08 4.45 Favored 'Cis proline' 0 C--N 1.359 1.13 0 C-N-CA 121.008 -2.497 . . . . 0.0 110.941 0.109 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.694 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -161.92 160.06 27.41 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.365 1.041 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -81.33 93.72 6.61 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.525 HG13 ' HB3' ' A' ' 80' ' ' ALA . 13.1 mm -101.05 158.72 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.343 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.564 ' CD2' ' HB ' ' A' ' 3' ' ' THR . 48.0 m-85 -148.01 155.84 41.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.595 HD11 HD23 ' A' ' 2' ' ' LEU . 0.2 OUTLIER -118.6 148.52 42.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.312 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.647 HD23 ' NE2' ' A' ' 62' ' ' HIS . 10.0 tp -114.85 65.93 0.68 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.536 1.147 . . . . 0.0 109.356 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -69.18 75.49 0.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.299 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -159.41 130.1 5.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 93' ' ' ASP . . . -37.01 105.68 0.04 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.548 1.155 . . . . 0.0 110.947 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.433 ' C ' ' O ' ' A' ' 91' ' ' GLY . 3.3 tp -37.73 -32.93 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.44 0.729 . . . . 0.0 109.209 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 91' ' ' GLY . 1.5 m-20 -40.85 -30.83 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.344 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.428 ' N ' ' C ' ' A' ' 92' ' ' ILE . . . -45.41 -45.45 11.42 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.627 1.204 . . . . 0.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.605 ' CD1' ' HG3' ' A' ' 35' ' ' PRO . 37.6 t-105 -48.42 -70.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.2 tttt -55.15 -27.57 46.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.261 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -56.4 -18.15 10.22 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.703 ' HB3' HD12 ' A' ' 100' ' ' LEU . . . -106.39 22.93 14.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 59.07 45.16 95.67 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.451 1.094 . . . . 0.0 111.04 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.703 HD12 ' HB3' ' A' ' 98' ' ' ALA . 1.2 mt -137.95 105.42 8.1 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.523 0.778 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 174.65 12.43 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.517 1.798 . . . . 0.0 111.013 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.929 HG21 ' HB3' ' A' ' 32' ' ' GLU . 20.7 m -81.04 -172.7 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.439 1.087 . . . . 0.0 109.374 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.804 ' HB3' ' HB2' ' A' ' 33' ' ' HIS . . . -83.46 77.02 9.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.574 1.171 . . . . 0.0 109.347 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.623 HG12 ' H ' ' A' ' 105' ' ' ASN . 3.1 t -83.66 174.46 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.623 ' H ' HG12 ' A' ' 104' ' ' VAL . 33.6 m-80 -77.9 -70.75 0.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.418 1.074 . . . . 0.0 109.356 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.51 85.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.228 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 105' ' ' ASN . 0.1 OUTLIER -179.62 79.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.927 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 59.8 tp60 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.553 1.158 . . . . 0.0 110.303 179.965 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.827 HD13 ' N ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -100.07 81.87 2.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 0.0 109.352 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.528 ' HB ' ' CD1' ' A' ' 86' ' ' PHE . 3.9 m -89.82 169.37 11.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.373 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.463 HG22 ' H ' ' A' ' 5' ' ' ILE . 85.1 m -111.3 172.62 6.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.364 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.918 HD13 HD11 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -172.65 177.6 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.516 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 0.6 OUTLIER 162.38 -51.4 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.927 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 6' ' ' SER . 18.3 Cg_endo -74.94 -163.35 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.447 1.762 . . . . 0.0 110.939 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.4 ' O ' ' N ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -44.4 -28.9 0.61 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.547 1.154 . . . . 0.0 109.575 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.528 ' HB3' HD11 ' A' ' 5' ' ' ILE . 0.8 OUTLIER -52.51 -32.43 40.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 0.0 109.363 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.529 ' HB2' HG23 ' A' ' 5' ' ' ILE . . . -81.57 -24.22 36.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.271 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 8' ' ' HIS . 13.4 tm0? -80.77 0.55 34.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.452 1.095 . . . . 0.0 110.264 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -97.81 -35.29 10.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.331 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.918 HD11 HD13 ' A' ' 5' ' ' ILE . 0.3 OUTLIER -74.98 -43.75 52.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 72.9 mt -62.5 -39.25 83.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.38 -7.0 56.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.329 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 40.1 mtt180 -98.27 -14.16 20.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.59 1.181 . . . . 0.0 110.308 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 103.03 30.76 5.32 Favored Glycine 0 CA--C 1.532 1.124 0 O-C-N 124.411 1.07 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.56 179.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 0.774 . . . . 0.0 109.356 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.78 97.33 3.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.706 HD22 HG21 ' A' ' 34' ' ' ILE . 8.0 tt -84.81 128.05 34.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.795 HG13 ' HB3' ' A' ' 40' ' ' ALA . 0.7 OUTLIER -105.76 126.91 61.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.365 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.402 ' CG ' ' SG ' ' A' ' 63' ' ' CYS . 0.2 OUTLIER -92.73 97.13 10.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.102 . . . . 0.0 109.316 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.536 HG23 HG23 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -94.61 39.65 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.577 1.173 . . . . 0.0 109.331 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.29 -177.42 4.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 110.268 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -41.77 142.5 0.65 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 1.028 ' HB1' HD21 ' A' ' 39' ' ' LEU . . . -120.44 -78.84 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -83.5 -17.07 43.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.91 -38.01 75.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.319 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.541 ' CD2' ' HB2' ' A' ' 31' ' ' ARG . 0.4 OUTLIER -114.58 -40.8 3.52 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.437 1.086 . . . . 0.0 110.997 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.727 ' O ' HD12 ' A' ' 30' ' ' LEU . 0.2 OUTLIER 39.21 29.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.375 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.541 ' HB2' ' CD2' ' A' ' 29' ' ' TYR . 42.4 mtt180 -99.64 -81.83 0.45 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 110.19 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -78.01 165.62 23.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.558 1.161 . . . . 0.0 110.21 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.846 ' HB3' ' HB3' ' A' ' 103' ' ' ALA . 2.8 t-160 -136.79 -144.89 0.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.595 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.001 HG22 ' HB2' ' A' ' 37' ' ' ALA . 0.1 OUTLIER -166.96 154.87 8.89 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 109.248 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.475 ' HG3' ' CE2' ' A' ' 95' ' ' TRP . 18.1 Cg_endo -75.09 107.51 2.5 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.509 1.794 . . . . 0.0 110.941 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 66.95 74.24 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.257 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 1.001 ' HB2' HG22 ' A' ' 34' ' ' ILE . . . -119.9 -173.18 2.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.763 ' OD2' HD12 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -177.7 108.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 1.028 HD21 ' HB1' ' A' ' 26' ' ' ALA . 4.0 mp -41.26 127.44 2.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.795 ' HB3' HG13 ' A' ' 21' ' ' ILE . . . -175.09 77.49 0.31 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.419 1.074 . . . . 0.0 109.303 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 42' ' ' LEU . 18.0 Cg_endo -75.13 151.51 39.04 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.551 1.816 . . . . 0.0 111.032 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 46' ' ' GLU . 1.3 pp -38.71 -39.01 0.45 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.7 m -53.08 -54.3 37.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.026 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.419 ' N ' ' O ' ' A' ' 41' ' ' PRO . 98.8 t -72.22 -44.36 64.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.095 . . . . 0.0 109.242 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.46 ' CD1' ' O ' ' A' ' 40' ' ' ALA . 36.7 mt -60.06 -19.71 54.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 42' ' ' LEU . 2.9 mt-10 -92.62 -56.79 2.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 110.225 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -21.34 66.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.399 1.062 . . . . 0.0 110.274 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 49' ' ' GLY . 8.5 t -101.19 -48.61 4.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.599 1.187 . . . . 0.0 109.99 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.52 ' O ' ' C ' ' A' ' 50' ' ' LEU . . . 60.16 130.13 0.01 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.52 ' C ' ' O ' ' A' ' 49' ' ' GLY . 0.2 OUTLIER 31.24 82.52 0.21 Allowed Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.496 0.762 . . . . 0.0 109.334 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 135.03 18.73 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.474 1.776 . . . . 0.0 111.038 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.44 -18.15 55.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.17 -16.79 48.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.618 HD13 HD11 ' A' ' 21' ' ' ILE . 14.9 mt -136.23 42.06 2.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.575 1.172 . . . . 0.0 109.269 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.3 ttt-85 -98.38 149.67 22.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.24 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -168.78 -149.59 0.08 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 109.616 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.55 ' O ' ' HB1' ' A' ' 83' ' ' ALA . 0.2 OUTLIER -107.54 -50.84 3.0 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.567 ' HB3' ' CE2' ' A' ' 86' ' ' PHE . 13.4 mt-30 -128.23 106.05 8.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.165 . . . . 0.0 110.248 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.839 HD12 ' N ' ' A' ' 60' ' ' ILE . 0.7 OUTLIER -100.83 173.46 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.839 ' N ' HD12 ' A' ' 59' ' ' ILE . 3.6 mm -118.19 146.03 23.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.669 ' HB3' HD23 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -136.73 99.74 4.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.997 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.608 ' CD2' ' O ' ' A' ' 88' ' ' LEU . 1.8 t-80 -178.75 -178.19 0.55 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.62 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.483 ' CB ' ' O ' ' A' ' 62' ' ' HIS . 0.8 OUTLIER 160.4 170.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.505 1.128 . . . . 0.0 108.301 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.529 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 36.2 tt0 65.2 -90.56 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.319 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.529 ' HB2' ' O ' ' A' ' 64' ' ' GLN . . . 173.87 52.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 138.7 162.0 8.99 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.504 1.128 . . . . 0.0 111.03 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.43 ' O ' ' CB ' ' A' ' 68' ' ' ARG . 4.9 tptp -170.0 -43.74 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 0.775 . . . . 0.0 109.272 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.43 ' CB ' ' O ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER 78.85 43.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.359 -179.917 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.467 ' CB ' HD22 ' A' ' 87' ' ' LEU . 11.4 p -64.06 -19.39 65.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.347 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 41.9 t -57.1 -17.67 11.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.014 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -62.4 -63.58 1.19 Allowed 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 63.0 m-80 -126.25 44.79 2.78 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.608 ' HA ' HD12 ' A' ' 76' ' ' LEU . . . -56.65 -20.22 20.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.594 1.184 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.65 -62.6 1.7 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.432 1.082 . . . . 0.0 109.257 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.64 -30.13 54.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.269 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.608 HD12 ' HA ' ' A' ' 73' ' ' ALA . 28.5 mt -71.61 -40.04 70.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.67 ' O ' ' HB2' ' A' ' 81' ' ' ALA . . . -78.9 0.94 25.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -110.13 -0.87 17.75 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -87.41 -44.94 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.399 1.062 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.823 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -109.27 38.07 2.41 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.582 1.176 . . . . 0.0 109.229 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.841 ' HB1' ' HA ' ' A' ' 82' ' ' PRO . . . -107.93 166.03 11.68 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.592 1.182 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.841 ' HA ' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -74.96 118.58 5.38 Favored 'Cis proline' 0 C--N 1.359 1.096 0 C-N-CA 121.0 -2.5 . . . . 0.0 110.986 -0.036 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.823 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -163.47 164.69 24.35 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.329 1.018 . . . . 0.0 109.266 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -102.75 76.8 1.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.341 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.741 HG21 ' HB3' ' A' ' 80' ' ' ALA . 18.0 pt -79.2 139.74 17.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.395 1.06 . . . . 0.0 109.319 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.567 ' CE2' ' HB3' ' A' ' 58' ' ' GLN . 13.1 m-85 -112.74 152.07 29.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.413 1.07 . . . . 0.0 110.977 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.669 HD23 ' HB3' ' A' ' 61' ' ' PHE . 0.2 OUTLIER -118.35 147.16 43.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.445 1.09 . . . . 0.0 109.361 179.912 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.638 HD22 HG22 ' A' ' 5' ' ' ILE . 0.3 OUTLIER -85.53 144.04 28.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -66.92 -160.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.105 . . . . 0.0 110.348 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -83.92 80.83 9.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 109.325 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 134.14 100.69 0.69 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.564 ' O ' HD12 ' A' ' 92' ' ' ILE . 1.2 pp -74.53 -3.61 4.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.479 0.752 . . . . 0.0 109.34 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 97' ' ' LYS . 2.4 p30 -50.46 -22.65 2.0 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 93' ' ' ASP . . . -37.24 -35.83 0.19 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.555 1.159 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.575 ' CZ2' ' HB3' ' A' ' 100' ' ' LEU . 19.5 t-105 -68.73 -60.59 2.29 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.3 ttpp -60.67 -15.5 29.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 93' ' ' ASP . 35.3 tttt -61.67 -15.4 39.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.556 ' HB3' HD12 ' A' ' 100' ' ' LEU . . . -109.19 23.16 14.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 62.45 40.32 98.94 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.502 1.126 . . . . 0.0 110.955 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.575 ' HB3' ' CZ2' ' A' ' 95' ' ' TRP . 1.0 OUTLIER -140.0 100.55 7.19 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.49 0.759 . . . . 0.0 109.343 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.416 ' O ' ' NE1' ' A' ' 95' ' ' TRP . 18.3 Cg_endo -74.99 -177.05 3.2 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.522 1.801 . . . . 0.0 110.937 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 22.3 m -85.78 -169.81 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.846 ' HB3' ' HB3' ' A' ' 33' ' ' HIS . . . -87.39 101.78 13.9 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.695 HG12 ' H ' ' A' ' 105' ' ' ASN . 1.4 t -92.56 -166.21 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.695 ' H ' HG12 ' A' ' 104' ' ' VAL . 16.6 p-10 -70.35 118.35 13.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.269 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.1 mtpm? -78.06 -171.04 2.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 109.248 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 42.99 89.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.516 1.135 . . . . 0.0 109.964 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.26 -179.974 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.765 ' C ' HD12 ' A' ' 2' ' ' LEU . 0.2 OUTLIER -55.41 108.82 0.46 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 87' ' ' LEU . 7.7 m -138.53 171.84 13.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.437 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.414 ' H ' HG22 ' A' ' 3' ' ' THR . 62.4 m -113.3 123.64 50.61 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.553 1.158 . . . . 0.0 110.408 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.597 HG23 ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -123.49 144.72 32.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 109.271 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.407 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 11.7 m -67.12 139.76 95.41 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.964 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.492 ' HB3' HD21 ' A' ' 88' ' ' LEU . 18.6 Cg_endo -75.09 0.41 8.98 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.534 1.807 . . . . 0.0 111.041 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -89.57 -32.69 17.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 109.616 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -101.87 -25.8 13.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.597 ' HB2' HG23 ' A' ' 5' ' ' ILE . . . -64.58 -26.98 68.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.344 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.6 tm0? -75.17 -2.42 27.71 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.541 1.15 . . . . 0.0 110.253 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -100.11 -47.78 4.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 110.245 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.563 HD12 ' HB3' ' A' ' 18' ' ' ALA . 3.6 pp -64.42 -37.05 86.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.373 1.045 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.832 ' HA ' ' HB3' ' A' ' 18' ' ' ALA . 9.1 mt -63.06 -49.52 83.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.17 -9.34 52.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.255 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -92.01 -22.61 19.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 110.36 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 162.12 -40.77 0.38 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.571 1.169 . . . . 0.0 111.029 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.832 ' HB3' ' HA ' ' A' ' 14' ' ' ILE . . . -43.44 143.68 0.87 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 0.805 . . . . 0.0 109.364 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.65 160.3 20.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.2 tt -114.71 158.77 21.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.155 . . . . 0.0 109.241 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.719 HG13 ' HB3' ' A' ' 40' ' ' ALA . 0.8 OUTLIER -137.32 127.04 37.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.695 ' OD1' ' HB1' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -95.87 104.21 16.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 6.1 mt -90.77 41.11 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.132 . . . . 0.0 109.266 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -116.2 -173.57 2.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 110.281 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -42.47 158.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 0.0 109.303 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.81 ' HA ' HD11 ' A' ' 39' ' ' LEU . . . -109.8 -74.59 0.65 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -109.75 -8.33 14.94 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.418 1.074 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.01 -39.62 92.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.249 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.544 ' CD2' ' HB2' ' A' ' 31' ' ' ARG . 1.4 t80 -120.34 -45.27 2.44 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.517 1.135 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.817 HD23 ' O ' ' A' ' 30' ' ' LEU . 2.9 tt 31.4 44.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.544 ' HB2' ' CD2' ' A' ' 29' ' ' TYR . 3.9 mtt180 -95.26 -77.31 0.47 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 110.323 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.446 ' HB3' HG21 ' A' ' 102' ' ' VAL . 5.2 mp0 -65.24 168.97 6.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 110.221 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.428 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 5.3 t-160 -170.14 87.76 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.578 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.514 ' C ' ' H ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -44.28 156.73 0.32 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 109.217 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.566 ' HG3' ' CE2' ' A' ' 95' ' ' TRP . 17.9 Cg_endo -74.98 28.91 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.479 1.778 . . . . 0.0 110.943 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.514 ' H ' ' C ' ' A' ' 34' ' ' ILE . 1.4 mt-10 165.46 89.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 110.333 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.695 ' HB1' ' OD1' ' A' ' 22' ' ' ASP . . . -148.0 178.48 8.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.591 1.182 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.909 ' HB3' HD13 ' A' ' 54' ' ' LEU . 52.0 m-20 -159.32 104.26 1.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.245 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.81 HD11 ' HA ' ' A' ' 26' ' ' ALA . 4.1 tp -37.5 124.24 1.02 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.575 1.172 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.719 ' HB3' HG13 ' A' ' 21' ' ' ILE . . . -170.28 65.38 0.49 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.313 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.07 171.21 18.77 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.49 1.784 . . . . 0.0 110.997 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 46' ' ' GLU . 14.6 mt -46.9 -39.49 12.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.6 p -51.84 -56.27 14.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 109.898 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.606 HG13 ' HB2' ' A' ' 48' ' ' SER . 96.0 t -73.46 -39.23 54.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 O-C-N 124.404 1.065 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.7 mt -63.3 -17.75 62.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.38 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 42' ' ' LEU . 1.3 mm-40 -102.88 -60.11 1.6 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.552 1.157 . . . . 0.0 110.259 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.12 -41.35 94.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.374 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.606 ' HB2' HG13 ' A' ' 44' ' ' VAL . 0.3 OUTLIER -87.04 -53.93 4.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.98 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 50' ' ' LEU . . . 93.97 -171.17 31.14 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.519 1.137 . . . . 0.0 110.957 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.683 HD23 ' O ' ' A' ' 50' ' ' LEU . 6.4 tt -38.7 101.48 0.23 Allowed Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.49 0.759 . . . . 0.0 109.349 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 75.53 3.67 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.466 1.772 . . . . 0.0 110.992 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.78 -18.94 9.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.02 -28.82 69.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 109.271 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.909 HD13 ' HB3' ' A' ' 38' ' ' ASP . 0.4 OUTLIER -126.3 38.13 4.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.997 HH21 HD11 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -123.49 166.53 15.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 110.253 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -159.99 -161.63 0.91 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.628 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -52.74 -20.77 3.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 110.227 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -171.17 157.32 5.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 1.077 HD11 ' CD2' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -143.57 149.74 17.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.595 1.184 . . . . 0.0 109.261 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.401 HG22 ' HB2' ' A' ' 88' ' ' LEU . 0.9 OUTLIER -142.1 128.71 19.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.413 1.071 . . . . 0.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 1.077 ' CD2' HD11 ' A' ' 59' ' ' ILE . 0.8 OUTLIER -138.82 -171.34 3.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -173.22 151.19 2.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.626 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 21.3 p -49.39 172.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 108.266 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -54.54 -83.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.266 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -144.29 61.53 1.34 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -144.2 -138.86 3.41 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.421 1.076 . . . . 0.0 111.0 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.88 -166.57 2.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.422 0.719 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 66.34 78.84 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.362 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.462 ' O ' ' HB2' ' A' ' 73' ' ' ALA . 81.1 m -119.77 -39.58 2.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.59 1.181 . . . . 0.0 110.41 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 47.4 t -67.69 -14.19 62.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 110.056 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -48.65 -43.02 36.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.346 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 -152.11 50.64 0.79 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.406 1.066 . . . . 0.0 109.258 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.634 ' HB3' HD22 ' A' ' 2' ' ' LEU . . . -84.3 -11.25 56.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -64.54 -52.94 55.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 109.362 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -50.7 -46.52 58.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.421 ' HA ' ' CG2' ' A' ' 79' ' ' ILE . 17.7 mt -67.62 -45.57 75.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 109.349 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.411 ' HB2' ' HB3' ' A' ' 2' ' ' LEU . . . -53.97 -20.76 6.69 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.462 1.101 . . . . 0.0 109.397 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -104.74 -30.55 9.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.21 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.435 ' N ' ' O ' ' A' ' 75' ' ' LYS . 0.3 OUTLIER -60.45 -16.07 11.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 109.361 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.938 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -128.43 38.03 4.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.83 ' HB1' ' HA ' ' A' ' 82' ' ' PRO . . . -99.2 165.49 14.75 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.83 ' HA ' ' HB1' ' A' ' 81' ' ' ALA . 18.5 Cg_endo -74.96 0.83 16.13 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 120.953 -2.519 . . . . 0.0 111.03 -0.069 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.938 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -36.99 145.65 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.564 1.165 . . . . 0.0 109.299 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -81.62 117.76 22.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.328 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.997 HD11 HH21 ' A' ' 55' ' ' ARG . 7.9 mm -109.55 164.73 5.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.608 ' CD1' ' O ' ' A' ' 85' ' ' ILE . 10.2 m-85 -161.67 177.24 10.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 111.008 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.559 HD11 HD13 ' A' ' 2' ' ' LEU . 26.2 mt -119.7 153.79 35.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.247 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.492 HD21 ' HB3' ' A' ' 7' ' ' PRO . 9.0 tt -118.65 107.56 13.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 88' ' ' LEU . 0.0 OUTLIER -38.96 111.83 0.2 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 0.0 110.403 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.426 ' HB3' ' CB ' ' A' ' 93' ' ' ASP . 39.1 m-20 64.27 139.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 109.356 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -81.08 -95.7 0.42 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.512 1.133 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.426 HD12 ' HA ' ' A' ' 92' ' ' ILE . 10.6 tp -50.8 -43.91 25.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.551 0.795 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.426 ' CB ' ' HB3' ' A' ' 90' ' ' ASP . 0.5 OUTLIER -55.68 -19.65 11.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.441 ' O ' ' CB ' ' A' ' 97' ' ' LYS . . . -61.99 -76.37 0.25 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.514 1.134 . . . . 0.0 111.025 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.603 ' CZ3' HD13 ' A' ' 100' ' ' LEU . 22.9 t-105 -60.67 -22.77 64.24 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.0 tttt -87.38 -0.06 56.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.441 ' CB ' ' O ' ' A' ' 94' ' ' GLY . 13.2 tptp -56.9 -19.72 19.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 1.089 ' HB3' ' CD1' ' A' ' 100' ' ' LEU . . . -125.65 28.61 6.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.271 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 56.75 40.2 88.54 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.534 1.146 . . . . 0.0 111.013 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 1.089 ' CD1' ' HB3' ' A' ' 98' ' ' ALA . 0.3 OUTLIER -106.95 115.03 60.91 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.474 0.749 . . . . 0.0 109.351 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 152.69 40.74 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.526 1.803 . . . . 0.0 110.954 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.446 HG21 ' HB3' ' A' ' 32' ' ' GLU . 20.8 m -80.06 176.92 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 33' ' ' HIS . . . -79.54 76.65 6.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.415 1.072 . . . . 0.0 109.277 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.775 HG13 ' N ' ' A' ' 105' ' ' ASN . 3.2 p -85.31 -145.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.775 ' N ' HG13 ' A' ' 104' ' ' VAL . 16.3 p30 -65.95 166.59 11.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 45.47 88.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.598 1.186 . . . . 0.0 109.267 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 7.7 t -166.91 134.44 2.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.426 1.079 . . . . 0.0 109.96 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? . . . . . 0 C--N 1.327 -0.398 0 O-C-N 124.467 1.105 . . . . 0.0 110.333 179.96 . . . . . . . . 0 0 . 1 stop_ save_